4-benzyl-N-cyclopropylbenzamide

C17H17NO — CID 45086871

IUPAC4-benzyl-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H17NO/c19-17(18-16-10-11-16)15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,18,19)
InChIKeyDIRLUTSWBZYEPW-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.17
Rot. Bonds4

About 4-benzyl-N-cyclopropylbenzamide

4-benzyl-N-cyclopropylbenzamide (PubChem CID 45086871) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-benzyl-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-benzyl-N-cyclopropylbenzamide
PubChem CID45086871
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name4-benzyl-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(Cc2ccccc2)cc1
InChIInChI=1S/C17H17NO/c19-17(18-16-10-11-16)15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,18,19)
InChIKeyDIRLUTSWBZYEPW-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 60809354
N-cyclohexyl-4-(phenoxymethyl)benzamide
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N-cyclopentyl-4-(hydroxymethyl)benzamide
CID 60636896
N-cyclopropyl-2-phenylacetamide
CID 5175687
4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
CID 95933789
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
1,2-bis(4-benzylphenyl)ethane-1,2-dione
CID 141311981
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-cyclopropylbenzamide
CID 1254009
N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
4-[(2-amino-3-phenylpropanoyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119276041
4-[benzyl-[4-(cyclopropylcarbamoyl)benzoyl]amino]butanoic acid
CID 120536427

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-cyclopropylbenzamide?
The IUPAC name of 4-benzyl-N-cyclopropylbenzamide (CID 45086871) is 4-benzyl-N-cyclopropylbenzamide.
What is the SMILES notation for 4-benzyl-N-cyclopropylbenzamide?
The canonical SMILES for 4-benzyl-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccc(Cc2ccccc2)cc1.
What is the InChIKey of 4-benzyl-N-cyclopropylbenzamide?
The InChIKey is DIRLUTSWBZYEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-17(18-16-10-11-16)15-8-6-14(7-9-15)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,18,19).
What are the key properties of 4-benzyl-N-cyclopropylbenzamide?
4-benzyl-N-cyclopropylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-cyclopropylbenzamide is sourced from PubChem (CID 45086871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).