3-benzylbenzamide;hydrochloride

C14H14ClNO — CID 159409318

IUPAC3-benzylbenzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(Cc2ccccc2)c1
InChIInChI=1S/C14H13NO.ClH/c15-14(16)13-8-4-7-12(10-13)9-11-5-2-1-3-6-11;/h1-8,10H,9H2,(H2,15,16);1H
InChIKeyLOJIFNPGADSUMB-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.80
Rot. Bonds3

About 3-benzylbenzamide;hydrochloride

3-benzylbenzamide;hydrochloride (PubChem CID 159409318) has the molecular formula C14H14ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 3-benzylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-benzylbenzamide;hydrochloride
PubChem CID159409318
Molecular FormulaC14H14ClNO
Molecular Weight247.73 g/mol
Exact Mass247.08
IUPAC Name3-benzylbenzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(Cc2ccccc2)c1
InChIInChI=1S/C14H13NO.ClH/c15-14(16)13-8-4-7-12(10-13)9-11-5-2-1-3-6-11;/h1-8,10H,9H2,(H2,15,16);1H
InChIKeyLOJIFNPGADSUMB-UHFFFAOYSA-N
XLogP2.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-benzylbenzamide;hydrochloride 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-(sulfanylmethyl)benzamide
CID 118350806
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride
CID 154810020
(3-benzoyl-5-benzylphenyl)-phenylmethanone
CID 13496348
3-(2-methylpropyl)benzamide
CID 23130390
3-[(carbamoylamino)methyl]benzamide
CID 166184789
2-[N-[(3-carbamoylphenyl)methyl]anilino]acetic acid
CID 60838242
methane;3-(3-oxopropyl)benzamide
CID 178062718
3-[(4-chlorophenyl)methyl]benzoic acid
CID 116927110
3-carbamoylbenzoic acid
CID 3014284
3-[(2-anilino-[1,2,4]triazolo[1,5-a]pyridin-5-yl)methyl]benzamide
CID 59276664
3-[[[2-(hydroxymethyl)-1,3-dihydroinden-2-yl]amino]methyl]benzamide
CID 166200250

Frequently Asked Questions

What is the IUPAC name of 3-benzylbenzamide;hydrochloride?
The IUPAC name of 3-benzylbenzamide;hydrochloride (CID 159409318) is 3-benzylbenzamide;hydrochloride.
What is the SMILES notation for 3-benzylbenzamide;hydrochloride?
The canonical SMILES for 3-benzylbenzamide;hydrochloride is Cl.NC(=O)c1cccc(Cc2ccccc2)c1.
What is the InChIKey of 3-benzylbenzamide;hydrochloride?
The InChIKey is LOJIFNPGADSUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO.ClH/c15-14(16)13-8-4-7-12(10-13)9-11-5-2-1-3-6-11;/h1-8,10H,9H2,(H2,15,16);1H.
What are the key properties of 3-benzylbenzamide;hydrochloride?
3-benzylbenzamide;hydrochloride has a molecular weight of 247.73 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylbenzamide;hydrochloride is sourced from PubChem (CID 159409318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).