N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-chlorophenyl)-3-methylbutyl]oxamide

C21H23ClFN3O3 — CID 71869477

IUPACN-(5-acetamido-2-fluorophenyl)-N'-[1-(4-chlorophenyl)-3-methylbutyl]oxamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)C(=O)NC(CC(C)C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H23ClFN3O3/c1-12(2)10-18(14-4-6-15(22)7-5-14)25-20(28)21(29)26-19-11-16(24-13(3)27)8-9-17(19)23/h4-9,11-12,18H,10H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeySGKHDCKTHYNBSC-UHFFFAOYSA-N
MW419.88 g/mol
LogP4.28
Rot. Bonds6

About N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-chlorophenyl)-3-methylbutyl]oxamide

N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-chlorophenyl)-3-methylbutyl]oxamide (PubChem CID 71869477) has the molecular formula C21H23ClFN3O3 and a molecular weight of 419.88 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-chlorophenyl)-3-methylbutyl]oxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-N'-[1-(4-chlorophenyl)-3-methylbutyl]oxamide
PubChem CID71869477
Molecular FormulaC21H23ClFN3O3
Molecular Weight419.88 g/mol
Exact Mass419.14
IUPAC NameN-(5-acetamido-2-fluorophenyl)-N'-[1-(4-chlorophenyl)-3-methylbutyl]oxamide
SMILESCC(=O)Nc1ccc(F)c(NC(=O)C(=O)NC(CC(C)C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C21H23ClFN3O3/c1-12(2)10-18(14-4-6-15(22)7-5-14)25-20(28)21(29)26-19-11-16(24-13(3)27)8-9-17(19)23/h4-9,11-12,18H,10H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeySGKHDCKTHYNBSC-UHFFFAOYSA-N
XLogP4.28
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.88
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-ethylphenyl)-2-methylpropyl]oxamide
CID 86996341
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide
CID 43672568
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
N-(5-acetamido-2-fluorophenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705048
(2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 119363829
N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
CID 134040610
1-[1-(4-chlorophenyl)-3-methylbutyl]-3-(1-hydroxypropan-2-yl)urea
CID 111507071
N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide
CID 43672597
N-(2,4-dichlorophenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798057
3-acetamido-3-(4-chlorophenyl)-N-[2-(3,4-difluoroanilino)-2-oxoethyl]propanamide
CID 55379526

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-chlorophenyl)-3-methylbutyl]oxamide?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-chlorophenyl)-3-methylbutyl]oxamide (CID 71869477) is N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-chlorophenyl)-3-methylbutyl]oxamide.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-chlorophenyl)-3-methylbutyl]oxamide?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-chlorophenyl)-3-methylbutyl]oxamide is CC(=O)Nc1ccc(F)c(NC(=O)C(=O)NC(CC(C)C)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-chlorophenyl)-3-methylbutyl]oxamide?
The InChIKey is SGKHDCKTHYNBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O3/c1-12(2)10-18(14-4-6-15(22)7-5-14)25-20(28)21(29)26-19-11-16(24-13(3)27)8-9-17(19)23/h4-9,11-12,18H,10H2,1-3H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-chlorophenyl)-3-methylbutyl]oxamide?
N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-chlorophenyl)-3-methylbutyl]oxamide has a molecular weight of 419.88 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-N'-[1-(4-chlorophenyl)-3-methylbutyl]oxamide is sourced from PubChem (CID 71869477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).