N-(3-chloro-4-fluorophenyl)-3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide

C21H23ClFN3O4 — CID 146449751

IUPACN-(3-chloro-4-fluorophenyl)-3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCC(C)(CO)NC(=O)C(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2n1CCCC2
InChIInChI=1S/C21H23ClFN3O4/c1-21(2,11-27)25-20(30)18(28)17-10-13(16-5-3-4-8-26(16)17)19(29)24-12-6-7-15(23)14(22)9-12/h6-7,9-10,27H,3-5,8,11H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyUWCYUUGEZIZZRJ-UHFFFAOYSA-N
MW435.88 g/mol
LogP2.94
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide

N-(3-chloro-4-fluorophenyl)-3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (PubChem CID 146449751) has the molecular formula C21H23ClFN3O4 and a molecular weight of 435.88 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
PubChem CID146449751
Molecular FormulaC21H23ClFN3O4
Molecular Weight435.88 g/mol
Exact Mass435.14
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
SMILESCC(C)(CO)NC(=O)C(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2n1CCCC2
InChIInChI=1S/C21H23ClFN3O4/c1-21(2,11-27)25-20(30)18(28)17-10-13(16-5-3-4-8-26(16)17)19(29)24-12-6-7-15(23)14(22)9-12/h6-7,9-10,27H,3-5,8,11H2,1-2H3,(H,24,29)(H,25,30)
InChIKeyUWCYUUGEZIZZRJ-UHFFFAOYSA-N
XLogP2.94
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.88
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-(3-chloro-4-fluorophenyl)-3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-difluorophenyl)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 134599126
3-[2-[(3,3-difluoro-1-methylcyclobutyl)amino]-2-oxoacetyl]-N-(3,4-difluorophenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide
CID 146535123
N-(3-fluoro-4-methylphenyl)-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-2-methyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 134599081
2-chloro-N-(3-chloro-4-fluorophenyl)-3-[2-[(2-hydroxy-2-methylpropyl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
CID 146449898
3-[2-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroindolizine-1-carboxamide
CID 146450260
N-(4-fluoro-3-methylphenyl)-2-methyl-3-[2-(2-methylbutan-2-ylamino)-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
CID 157367819
N-(4-fluoro-3-methylphenyl)-3-[2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide
CID 146450232
N-(3-chloro-4-fluorophenyl)-2-methoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxamide
CID 91904418
3-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073677
N-(3-chloro-4-fluorophenyl)-2-methyl-1-[2-oxo-2-[[3-(trifluoromethyl)oxetan-3-yl]amino]acetyl]-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 134285185
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
5-[[2-[2-chloro-1-[(4-fluoro-3-methylphenyl)carbamoyl]-6,7-dihydro-5H-pyrrolizin-3-yl]-2-oxoacetyl]amino]-5-methylhexanoic acid
CID 164992000

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide (CID 146449751) is N-(3-chloro-4-fluorophenyl)-3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is CC(C)(CO)NC(=O)C(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2n1CCCC2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
The InChIKey is UWCYUUGEZIZZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O4/c1-21(2,11-27)25-20(30)18(28)17-10-13(16-5-3-4-8-26(16)17)19(29)24-12-6-7-15(23)14(22)9-12/h6-7,9-10,27H,3-5,8,11H2,1-2H3,(H,24,29)(H,25,30).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide?
N-(3-chloro-4-fluorophenyl)-3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide has a molecular weight of 435.88 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoacetyl]-5,6,7,8-tetrahydroindolizine-1-carboxamide is sourced from PubChem (CID 146449751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).