N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide

C17H18N2O — CID 86729837

IUPACN-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc([C@@H]3C[C@H]3N)cc2)c1
InChIInChI=1S/C17H18N2O/c1-11-3-2-4-13(9-11)17(20)19-14-7-5-12(6-8-14)15-10-16(15)18/h2-9,15-16H,10,18H2,1H3,(H,19,20)/t15-,16+/m0/s1
InChIKeyLJNXDARUPZPSJU-JKSUJKDBSA-N
MW266.34 g/mol
LogP3.06
Rot. Bonds3

About N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide

N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide (PubChem CID 86729837) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide
PubChem CID86729837
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc([C@@H]3C[C@H]3N)cc2)c1
InChIInChI=1S/C17H18N2O/c1-11-3-2-4-13(9-11)17(20)19-14-7-5-12(6-8-14)15-10-16(15)18/h2-9,15-16H,10,18H2,1H3,(H,19,20)/t15-,16+/m0/s1
InChIKeyLJNXDARUPZPSJU-JKSUJKDBSA-N
XLogP3.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide 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

[2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
CID 90214092
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
CID 87724838
CID 87724838
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380
benzyl N-[3-[[4-[(1S,2R)-2-aminocyclopropyl]phenyl]carbamoyl]phenyl]carbamate;hydrochloride
CID 127032253
N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide
CID 118734108
N-(4-formamidophenyl)-3-methylbenzamide
CID 168653169
N-[4-[(1S)-1-hydroxyethyl]phenyl]-3-methylbenzamide
CID 93040828
ethyl 3-[4-[(3-methylbenzoyl)amino]anilino]-3-oxopropanoate
CID 17252370
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-2-methyl-4-oxo-3H-quinazoline-7-carboxamide
CID 167851167
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-phenylbenzamide;tert-butyl N-[(1R,2S)-2-[4-[(3-phenylbenzoyl)amino]phenyl]cyclopropyl]carbamate;hydrochloride
CID 158155558
N-[4-(2-formylhydrazinyl)phenyl]-3-methylbenzamide
CID 20661930

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide (CID 86729837) is N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc([C@@H]3C[C@H]3N)cc2)c1.
What is the InChIKey of N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide?
The InChIKey is LJNXDARUPZPSJU-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11-3-2-4-13(9-11)17(20)19-14-7-5-12(6-8-14)15-10-16(15)18/h2-9,15-16H,10,18H2,1H3,(H,19,20)/t15-,16+/m0/s1.
What are the key properties of N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide?
N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide has a molecular weight of 266.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,2R)-2-aminocyclopropyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 86729837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).