N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide

C21H24ClFN2O4 — CID 56566598

IUPACN-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)N(C)C(C(N)=O)c2cccc(F)c2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C21H24ClFN2O4/c1-12(2)11-29-19-16(22)9-14(10-17(19)28-4)21(27)25(3)18(20(24)26)13-6-5-7-15(23)8-13/h5-10,12,18H,11H2,1-4H3,(H2,24,26)
InChIKeyAFZWGVNDRBRCRI-UHFFFAOYSA-N
MW422.88 g/mol
LogP3.82
Rot. Bonds8

About N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide

N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide (PubChem CID 56566598) has the molecular formula C21H24ClFN2O4 and a molecular weight of 422.88 g/mol. Its IUPAC name is N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
PubChem CID56566598
Molecular FormulaC21H24ClFN2O4
Molecular Weight422.88 g/mol
Exact Mass422.14
IUPAC NameN-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)N(C)C(C(N)=O)c2cccc(F)c2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C21H24ClFN2O4/c1-12(2)11-29-19-16(22)9-14(10-17(19)28-4)21(27)25(3)18(20(24)26)13-6-5-7-15(23)8-13/h5-10,12,18H,11H2,1-4H3,(H2,24,26)
InChIKeyAFZWGVNDRBRCRI-UHFFFAOYSA-N
XLogP3.82
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.88
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide 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

3-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 9439299
3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)-N-(2-methylpropyl)benzamide
CID 134058516
(2-amino-2-oxo-1-phenylethyl) 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 18135379
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(3-fluorophenyl)methyl]-5-methoxy-N-methylbenzamide
CID 18136436
3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 55333896
3-chloro-N-(furan-2-ylmethyl)-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide
CID 55334280
3-chloro-N'-(2-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 26799191
4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide
CID 119584039
3-chloro-5-methoxy-4-(2-methylpropoxy)-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 78792706
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate
CID 46624157
2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
CID 7994307
[3-chloro-5-methoxy-4-(2-methylpropoxy)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 9081433

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide (CID 56566598) is N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide is COc1cc(C(=O)N(C)C(C(N)=O)c2cccc(F)c2)cc(Cl)c1OCC(C)C.
What is the InChIKey of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
The InChIKey is AFZWGVNDRBRCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O4/c1-12(2)11-29-19-16(22)9-14(10-17(19)28-4)21(27)25(3)18(20(24)26)13-6-5-7-15(23)8-13/h5-10,12,18H,11H2,1-4H3,(H2,24,26).
What are the key properties of N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide?
N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide has a molecular weight of 422.88 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-3-chloro-5-methoxy-N-methyl-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 56566598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).