2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid

C19H19NO3 — CID 42108646

IUPAC2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid
SMILESC[C@@H](C1CC1)N(C(=O)c1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C19H19NO3/c1-13(14-11-12-14)20(15-7-3-2-4-8-15)18(21)16-9-5-6-10-17(16)19(22)23/h2-10,13-14H,11-12H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyFCBZPGVBHFRCID-ZDUSSCGKSA-N
MW309.37 g/mol
LogP3.83
Rot. Bonds5

About 2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid

2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid (PubChem CID 42108646) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid
PubChem CID42108646
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid
SMILESC[C@@H](C1CC1)N(C(=O)c1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C19H19NO3/c1-13(14-11-12-14)20(15-7-3-2-4-8-15)18(21)16-9-5-6-10-17(16)19(22)23/h2-10,13-14H,11-12H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyFCBZPGVBHFRCID-ZDUSSCGKSA-N
XLogP3.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid 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

N-[(1S)-1-cyclopropylethyl]-N-phenylbenzamide
CID 6923930
N-(1-cyclopropylethyl)-2-nitro-N-phenylbenzamide
CID 4522146
N-[(1S)-1-cyclopropylethyl]-N-phenylacetamide
CID 6950629
N-[(1S)-1-cyclopropylethyl]-4-methyl-N-phenylbenzamide
CID 6923903
(E)-4-(N-[(1R)-1-cyclopropylethyl]anilino)-4-oxobut-2-enoate
CID 7036845
N-(1-cyclopropylethyl)-2-hydroxy-N-(2-methoxyphenyl)benzamide
CID 4963037
2-(1-cyclopropylethylcarbamoyl)benzoic acid
CID 43533392
3-[1-cyclopropylethyl(methyl)amino]benzoic acid
CID 102822708
N-(1-cyclopropylethyl)-N-methylaniline
CID 134851823
2-bromo-N-(1-cyclopropylethyl)-N-methylbenzamide
CID 43420538
2-[methyl(3-methylbutyl)carbamoyl]benzoic acid
CID 60948718
N-(1-cyclopropylethyl)-N-methyl-2-(methylamino)benzamide
CID 61375904

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid?
The IUPAC name of 2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid (CID 42108646) is 2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid is C[C@@H](C1CC1)N(C(=O)c1ccccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid?
The InChIKey is FCBZPGVBHFRCID-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13(14-11-12-14)20(15-7-3-2-4-8-15)18(21)16-9-5-6-10-17(16)19(22)23/h2-10,13-14H,11-12H2,1H3,(H,22,23)/t13-/m0/s1.
What are the key properties of 2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid?
2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid has a molecular weight of 309.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-cyclopropylethyl]-phenylcarbamoyl]benzoic acid is sourced from PubChem (CID 42108646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).