methyl N-[(2S)-2-(4-fluorophenyl)propanoyl]-N-[(2R)-1-phenylpropan-2-yl]carbamate

C20H22FNO3 — CID 146248045

IUPACmethyl N-[(2S)-2-(4-fluorophenyl)propanoyl]-N-[(2R)-1-phenylpropan-2-yl]carbamate
SMILESCOC(=O)N(C(=O)[C@@H](C)c1ccc(F)cc1)[C@H](C)Cc1ccccc1
InChIInChI=1S/C20H22FNO3/c1-14(13-16-7-5-4-6-8-16)22(20(24)25-3)19(23)15(2)17-9-11-18(21)12-10-17/h4-12,14-15H,13H2,1-3H3/t14-,15+/m1/s1
InChIKeyJKGOVBNSOBXXDR-CABCVRRESA-N
MW343.40 g/mol
LogP4.16
Rot. Bonds5

About methyl N-[(2S)-2-(4-fluorophenyl)propanoyl]-N-[(2R)-1-phenylpropan-2-yl]carbamate

methyl N-[(2S)-2-(4-fluorophenyl)propanoyl]-N-[(2R)-1-phenylpropan-2-yl]carbamate (PubChem CID 146248045) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is methyl N-[(2S)-2-(4-fluorophenyl)propanoyl]-N-[(2R)-1-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(2S)-2-(4-fluorophenyl)propanoyl]-N-[(2R)-1-phenylpropan-2-yl]carbamate
PubChem CID146248045
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Namemethyl N-[(2S)-2-(4-fluorophenyl)propanoyl]-N-[(2R)-1-phenylpropan-2-yl]carbamate
SMILESCOC(=O)N(C(=O)[C@@H](C)c1ccc(F)cc1)[C@H](C)Cc1ccccc1
InChIInChI=1S/C20H22FNO3/c1-14(13-16-7-5-4-6-8-16)22(20(24)25-3)19(23)15(2)17-9-11-18(21)12-10-17/h4-12,14-15H,13H2,1-3H3/t14-,15+/m1/s1
InChIKeyJKGOVBNSOBXXDR-CABCVRRESA-N
XLogP4.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl N-[(2S)-2-(4-fluorophenyl)propanoyl]-N-[(2R)-1-phenylpropan-2-yl]carbamate 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

(2R)-N-[(4-fluorophenyl)methyl]-N-methyl-2-phenylpropanamide
CID 124598211
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
methyl 2-methyl-3-phenylpropanoate
CID 11105919
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
methyl (2S)-3-(dibenzylamino)-2-(4-fluorophenyl)propanoate
CID 162417339
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
methyl (2S)-2-[[(2S)-2-amino-3-(4-fluorophenyl)propanoyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoate
CID 67423761
(2S)-2-[3-(4-fluorophenyl)butanoylamino]-3-phenylpropanoic acid
CID 119366490
methyl (2R)-2-benzyl-3-methylbutanoate
CID 59852467
2-(3-methoxy-4,5-dimethylphenyl)-N-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 123468185
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
2-[4-[[(4-fluorophenyl)methylamino]methyl]phenyl]propanoic acid
CID 103234637

Frequently Asked Questions

What is the IUPAC name of methyl N-[(2S)-2-(4-fluorophenyl)propanoyl]-N-[(2R)-1-phenylpropan-2-yl]carbamate?
The IUPAC name of methyl N-[(2S)-2-(4-fluorophenyl)propanoyl]-N-[(2R)-1-phenylpropan-2-yl]carbamate (CID 146248045) is methyl N-[(2S)-2-(4-fluorophenyl)propanoyl]-N-[(2R)-1-phenylpropan-2-yl]carbamate.
What is the SMILES notation for methyl N-[(2S)-2-(4-fluorophenyl)propanoyl]-N-[(2R)-1-phenylpropan-2-yl]carbamate?
The canonical SMILES for methyl N-[(2S)-2-(4-fluorophenyl)propanoyl]-N-[(2R)-1-phenylpropan-2-yl]carbamate is COC(=O)N(C(=O)[C@@H](C)c1ccc(F)cc1)[C@H](C)Cc1ccccc1.
What is the InChIKey of methyl N-[(2S)-2-(4-fluorophenyl)propanoyl]-N-[(2R)-1-phenylpropan-2-yl]carbamate?
The InChIKey is JKGOVBNSOBXXDR-CABCVRRESA-N. The full InChI is InChI=1S/C20H22FNO3/c1-14(13-16-7-5-4-6-8-16)22(20(24)25-3)19(23)15(2)17-9-11-18(21)12-10-17/h4-12,14-15H,13H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of methyl N-[(2S)-2-(4-fluorophenyl)propanoyl]-N-[(2R)-1-phenylpropan-2-yl]carbamate?
methyl N-[(2S)-2-(4-fluorophenyl)propanoyl]-N-[(2R)-1-phenylpropan-2-yl]carbamate has a molecular weight of 343.40 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(2S)-2-(4-fluorophenyl)propanoyl]-N-[(2R)-1-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 146248045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).