3-[[cyclopropyl(phenyl)methyl]amino]benzamide

C17H18N2O — CID 61313756

IUPAC3-[[cyclopropyl(phenyl)methyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(c2ccccc2)C2CC2)c1
InChIInChI=1S/C17H18N2O/c18-17(20)14-7-4-8-15(11-14)19-16(13-9-10-13)12-5-2-1-3-6-12/h1-8,11,13,16,19H,9-10H2,(H2,18,20)
InChIKeyRCNLGJYPMSGHFC-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.35
Rot. Bonds5

About 3-[[cyclopropyl(phenyl)methyl]amino]benzamide

3-[[cyclopropyl(phenyl)methyl]amino]benzamide (PubChem CID 61313756) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[[cyclopropyl(phenyl)methyl]amino]benzamide.

Molecular Properties

Compound Name3-[[cyclopropyl(phenyl)methyl]amino]benzamide
PubChem CID61313756
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-[[cyclopropyl(phenyl)methyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(c2ccccc2)C2CC2)c1
InChIInChI=1S/C17H18N2O/c18-17(20)14-7-4-8-15(11-14)19-16(13-9-10-13)12-5-2-1-3-6-12/h1-8,11,13,16,19H,9-10H2,(H2,18,20)
InChIKeyRCNLGJYPMSGHFC-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[cyclopropyl(phenyl)methyl]amino]benzamide 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

3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]benzamide
CID 43767608
2-chloro-5-[[cyclopropyl(phenyl)methyl]amino]benzamide
CID 61314159
2-[4-[[cyclopropyl(phenyl)methyl]amino]phenyl]acetamide
CID 61312189
N-[cyclopropyl(phenyl)methyl]-3-methylsulfonylaniline
CID 61313567
3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide
CID 107811192
4-[[cyclopropyl(phenyl)methyl]amino]phenol
CID 61313766
3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide
CID 94819637
3,5-dichloro-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422408
4-[[cyclopropyl(phenyl)methyl]amino]benzenesulfonamide
CID 61313949
3-[(2-chloro-2-phenylacetyl)amino]benzamide
CID 43346587
4-[4-[[cyclopropyl(phenyl)methyl]carbamoyl]phenoxy]benzamide
CID 56545703
4-bromo-N-[cyclopropyl(phenyl)methyl]aniline
CID 63422798

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(phenyl)methyl]amino]benzamide?
The IUPAC name of 3-[[cyclopropyl(phenyl)methyl]amino]benzamide (CID 61313756) is 3-[[cyclopropyl(phenyl)methyl]amino]benzamide.
What is the SMILES notation for 3-[[cyclopropyl(phenyl)methyl]amino]benzamide?
The canonical SMILES for 3-[[cyclopropyl(phenyl)methyl]amino]benzamide is NC(=O)c1cccc(NC(c2ccccc2)C2CC2)c1.
What is the InChIKey of 3-[[cyclopropyl(phenyl)methyl]amino]benzamide?
The InChIKey is RCNLGJYPMSGHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-17(20)14-7-4-8-15(11-14)19-16(13-9-10-13)12-5-2-1-3-6-12/h1-8,11,13,16,19H,9-10H2,(H2,18,20).
What are the key properties of 3-[[cyclopropyl(phenyl)methyl]amino]benzamide?
3-[[cyclopropyl(phenyl)methyl]amino]benzamide has a molecular weight of 266.34 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(phenyl)methyl]amino]benzamide is sourced from PubChem (CID 61313756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).