N-benzyl-3-(4-carbamoylphenyl)benzamide

C21H18N2O2 — CID 117092674

IUPACN-benzyl-3-(4-carbamoylphenyl)benzamide
SMILESNC(=O)c1ccc(-c2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C21H18N2O2/c22-20(24)17-11-9-16(10-12-17)18-7-4-8-19(13-18)21(25)23-14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,22,24)(H,23,25)
InChIKeyXAPPWSCCDIZOBV-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.38
Rot. Bonds5

About N-benzyl-3-(4-carbamoylphenyl)benzamide

N-benzyl-3-(4-carbamoylphenyl)benzamide (PubChem CID 117092674) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-benzyl-3-(4-carbamoylphenyl)benzamide.

Molecular Properties

Compound NameN-benzyl-3-(4-carbamoylphenyl)benzamide
PubChem CID117092674
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC NameN-benzyl-3-(4-carbamoylphenyl)benzamide
SMILESNC(=O)c1ccc(-c2cccc(C(=O)NCc3ccccc3)c2)cc1
InChIInChI=1S/C21H18N2O2/c22-20(24)17-11-9-16(10-12-17)18-7-4-8-19(13-18)21(25)23-14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,22,24)(H,23,25)
InChIKeyXAPPWSCCDIZOBV-UHFFFAOYSA-N
XLogP3.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 28638755
N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
CID 108767634
3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 68651367
3-[4-[2-(benzylamino)ethyl]phenyl]benzamide
CID 58276622
N-benzyl-3-(3,4-diamino-5-methylphenyl)benzamide
CID 168873200
3-(2-aminoethyl)-N-benzylbenzamide
CID 62591363
N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 46385970
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
3-[[(3-phenoxybenzoyl)amino]methyl]benzamide
CID 32636499
N-benzyl-3-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 28638866
3-phenylbenzamide;phosphoric acid
CID 130454344

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-carbamoylphenyl)benzamide?
The IUPAC name of N-benzyl-3-(4-carbamoylphenyl)benzamide (CID 117092674) is N-benzyl-3-(4-carbamoylphenyl)benzamide.
What is the SMILES notation for N-benzyl-3-(4-carbamoylphenyl)benzamide?
The canonical SMILES for N-benzyl-3-(4-carbamoylphenyl)benzamide is NC(=O)c1ccc(-c2cccc(C(=O)NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-3-(4-carbamoylphenyl)benzamide?
The InChIKey is XAPPWSCCDIZOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c22-20(24)17-11-9-16(10-12-17)18-7-4-8-19(13-18)21(25)23-14-15-5-2-1-3-6-15/h1-13H,14H2,(H2,22,24)(H,23,25).
What are the key properties of N-benzyl-3-(4-carbamoylphenyl)benzamide?
N-benzyl-3-(4-carbamoylphenyl)benzamide has a molecular weight of 330.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-carbamoylphenyl)benzamide is sourced from PubChem (CID 117092674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).