methyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate

C19H20FNO3 — CID 31861915

IUPACmethyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate
SMILESCOC(=O)C[C@@H](NC(=O)c1ccc(C)c(F)c1)c1ccc(C)cc1
InChIInChI=1S/C19H20FNO3/c1-12-4-7-14(8-5-12)17(11-18(22)24-3)21-19(23)15-9-6-13(2)16(20)10-15/h4-10,17H,11H2,1-3H3,(H,21,23)/t17-/m1/s1
InChIKeyHPJWGFQDCVLWHL-QGZVFWFLSA-N
MW329.37 g/mol
LogP3.48
Rot. Bonds5

About methyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate

methyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate (PubChem CID 31861915) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is methyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate
PubChem CID31861915
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Namemethyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate
SMILESCOC(=O)C[C@@H](NC(=O)c1ccc(C)c(F)c1)c1ccc(C)cc1
InChIInChI=1S/C19H20FNO3/c1-12-4-7-14(8-5-12)17(11-18(22)24-3)21-19(23)15-9-6-13(2)16(20)10-15/h4-10,17H,11H2,1-3H3,(H,21,23)/t17-/m1/s1
InChIKeyHPJWGFQDCVLWHL-QGZVFWFLSA-N
XLogP3.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl (3R)-3-[(3-fluoro-4-methoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 26974136
3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid
CID 16777891
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 2054812
methyl (3S)-3-(4-methylphenyl)-3-[(6-methylpyridine-3-carbonyl)amino]propanoate
CID 31118479
methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-[(4-methylbenzoyl)amino]propanoate
CID 40565105
ethyl 3-[(3-fluorobenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 3534137
methyl 3-[(2,3-dimethylquinoxaline-6-carbonyl)amino]-3-(4-fluorophenyl)propanoate
CID 55995055
methyl (3S)-3-(4-fluorophenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 52733979
methyl 4-(3-fluoro-4-methylphenyl)-3-methyl-4-oxobutanoate
CID 63644493
methyl 3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(4-methylphenyl)propanoate
CID 55440281
methyl 3-(3-fluoro-4-methylphenyl)-3-(propylamino)propanoate
CID 65236016
methyl (3R)-3-[[2-[(3,4-difluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 52505542

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate?
The IUPAC name of methyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate (CID 31861915) is methyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate.
What is the SMILES notation for methyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate?
The canonical SMILES for methyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate is COC(=O)C[C@@H](NC(=O)c1ccc(C)c(F)c1)c1ccc(C)cc1.
What is the InChIKey of methyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate?
The InChIKey is HPJWGFQDCVLWHL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-12-4-7-14(8-5-12)17(11-18(22)24-3)21-19(23)15-9-6-13(2)16(20)10-15/h4-10,17H,11H2,1-3H3,(H,21,23)/t17-/m1/s1.
What are the key properties of methyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate?
methyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate has a molecular weight of 329.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 31861915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).