N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide

C21H24ClFN2O3 — CID 71455078

IUPACN-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2ccc(Cl)cc2)[C@H](CC(C)C)C(N)=O)cc1F
InChIInChI=1S/C21H24ClFN2O3/c1-13(2)10-18(20(24)26)25(21(27)15-5-7-16(22)8-6-15)12-14-4-9-19(28-3)17(23)11-14/h4-9,11,13,18H,10,12H2,1-3H3,(H2,24,26)/t18-/m1/s1
InChIKeyPXLOWDQZRBSGHT-GOSISDBHSA-N
MW406.89 g/mol
LogP4.03
Rot. Bonds8

About N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide

N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide (PubChem CID 71455078) has the molecular formula C21H24ClFN2O3 and a molecular weight of 406.89 g/mol. Its IUPAC name is N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
PubChem CID71455078
Molecular FormulaC21H24ClFN2O3
Molecular Weight406.89 g/mol
Exact Mass406.15
IUPAC NameN-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(C(=O)c2ccc(Cl)cc2)[C@H](CC(C)C)C(N)=O)cc1F
InChIInChI=1S/C21H24ClFN2O3/c1-13(2)10-18(20(24)26)25(21(27)15-5-7-16(22)8-6-15)12-14-4-9-19(28-3)17(23)11-14/h4-9,11,13,18H,10,12H2,1-3H3,(H2,24,26)/t18-/m1/s1
InChIKeyPXLOWDQZRBSGHT-GOSISDBHSA-N
XLogP4.03
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]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

4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-(1-phenylethyl)benzamide
CID 42695710
(2R)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]propanamide
CID 8912011
4-chloro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-propan-2-ylbenzamide
CID 46006413
2-amino-N-butan-2-yl-N-[(3-fluoro-4-methoxyphenyl)methyl]acetamide
CID 112517436
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 78797061
methyl 4-[(3-fluoro-4-methoxyphenyl)methyl-methylcarbamoyl]benzoate
CID 31917214
4-bromo-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60652530
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 51981788
3-amino-1-(3-fluoro-4-methoxyphenyl)-5-methylhexan-2-one
CID 116553429
1-(3-fluoro-4-methoxyphenyl)-4-methylpentan-2-amine
CID 62601628
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 18115738
2-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpentanoic acid
CID 61130269

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
The IUPAC name of N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide (CID 71455078) is N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide is COc1ccc(CN(C(=O)c2ccc(Cl)cc2)[C@H](CC(C)C)C(N)=O)cc1F.
What is the InChIKey of N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
The InChIKey is PXLOWDQZRBSGHT-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24ClFN2O3/c1-13(2)10-18(20(24)26)25(21(27)15-5-7-16(22)8-6-15)12-14-4-9-19(28-3)17(23)11-14/h4-9,11,13,18H,10,12H2,1-3H3,(H2,24,26)/t18-/m1/s1.
What are the key properties of N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide has a molecular weight of 406.89 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]-4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 71455078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).