(1R,2R,3R,4S)-2-benzamido-3-phenylbicyclo[2.2.1]heptane-2-carboxylic acid

C21H21NO3 — CID 11823874

IUPAC(1R,2R,3R,4S)-2-benzamido-3-phenylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(N[C@]1(C(=O)O)[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21NO3/c23-19(15-9-5-2-6-10-15)22-21(20(24)25)17-12-11-16(13-17)18(21)14-7-3-1-4-8-14/h1-10,16-18H,11-13H2,(H,22,23)(H,24,25)/t16-,17+,18-,21+/m0/s1
InChIKeyORTQDMBCHJAFBW-TWFHAPMSSA-N
MW335.40 g/mol
LogP3.45
Rot. Bonds4

About (1R,2R,3R,4S)-2-benzamido-3-phenylbicyclo[2.2.1]heptane-2-carboxylic acid

(1R,2R,3R,4S)-2-benzamido-3-phenylbicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 11823874) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is (1R,2R,3R,4S)-2-benzamido-3-phenylbicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,3R,4S)-2-benzamido-3-phenylbicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID11823874
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name(1R,2R,3R,4S)-2-benzamido-3-phenylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(N[C@]1(C(=O)O)[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1ccccc1
InChIInChI=1S/C21H21NO3/c23-19(15-9-5-2-6-10-15)22-21(20(24)25)17-12-11-16(13-17)18(21)14-7-3-1-4-8-14/h1-10,16-18H,11-13H2,(H,22,23)(H,24,25)/t16-,17+,18-,21+/m0/s1
InChIKeyORTQDMBCHJAFBW-TWFHAPMSSA-N
XLogP3.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,3R,4S)-2-benzamido-3-phenylbicyclo[2.2.1]heptane-2-carboxylic 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-(2-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 91038848
(1R,2S,3R,4S)-2-benzamido-3-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 10754708
methyl (1R,2S,3S,4S)-2-benzamido-3-phenylbicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10736424
N-[(3-phenyl-2-bicyclo[2.2.1]heptanyl)sulfonyl]benzamide
CID 59993581
N-(2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-yl)benzamide
CID 18463125
but-2-enedioic acid;3'-phenylspiro[3,4-dihydropyrrole-5,2'-bicyclo[2.2.1]heptane]-2-amine
CID 70569241
1-[(4-chlorobenzoyl)amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559124
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
lead(2+);bis(N-oxidobenzamide)
CID 174994108
methyl (1R,2S,4S)-2-benzamido-3-oxobicyclo[2.2.1]heptane-2-carboxylate
CID 11077030

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S)-2-benzamido-3-phenylbicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of (1R,2R,3R,4S)-2-benzamido-3-phenylbicyclo[2.2.1]heptane-2-carboxylic acid (CID 11823874) is (1R,2R,3R,4S)-2-benzamido-3-phenylbicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for (1R,2R,3R,4S)-2-benzamido-3-phenylbicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for (1R,2R,3R,4S)-2-benzamido-3-phenylbicyclo[2.2.1]heptane-2-carboxylic acid is O=C(N[C@]1(C(=O)O)[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2R,3R,4S)-2-benzamido-3-phenylbicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is ORTQDMBCHJAFBW-TWFHAPMSSA-N. The full InChI is InChI=1S/C21H21NO3/c23-19(15-9-5-2-6-10-15)22-21(20(24)25)17-12-11-16(13-17)18(21)14-7-3-1-4-8-14/h1-10,16-18H,11-13H2,(H,22,23)(H,24,25)/t16-,17+,18-,21+/m0/s1.
What are the key properties of (1R,2R,3R,4S)-2-benzamido-3-phenylbicyclo[2.2.1]heptane-2-carboxylic acid?
(1R,2R,3R,4S)-2-benzamido-3-phenylbicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S)-2-benzamido-3-phenylbicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 11823874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).