N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide

C22H20N2O2 — CID 171673970

IUPACN-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1cccc(-c2ccccc2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H20N2O2/c1-23-21(25)18-11-7-10-17(14-18)19-12-5-6-13-20(19)22(26)24-15-16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyLUYSYXSUMFHCDX-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.64
Rot. Bonds5

About N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide

N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide (PubChem CID 171673970) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide
PubChem CID171673970
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide
SMILESCNC(=O)c1cccc(-c2ccccc2C(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H20N2O2/c1-23-21(25)18-11-7-10-17(14-18)19-12-5-6-13-20(19)22(26)24-15-16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyLUYSYXSUMFHCDX-UHFFFAOYSA-N
XLogP3.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-carbamimidoylphenyl)-N-[(4-carbamimidoylphenyl)methyl]benzamide
CID 87951271
N-methyl-2-[3-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzamide
CID 169421607
3-[[(N-benzyl-N'-methylcarbamimidoyl)amino]methyl]-N-methylbenzamide;hydroiodide
CID 110952739
3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 143752516
N-[(4-cyanophenyl)methyl]-2-(3-methylsulfanylphenyl)benzamide
CID 144564242
2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227063
3-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 68651367
N-[2-[3-(methylcarbamoyl)phenyl]ethyl]-4-phenyl-1H-pyrrole-3-carboxamide
CID 139003405
N-methyl-3-(2-propan-2-ylphenyl)benzamide
CID 142590167
N-benzyl-3-(4-carbamoylphenyl)benzamide
CID 117092674
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide (CID 171673970) is N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide is CNC(=O)c1cccc(-c2ccccc2C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is LUYSYXSUMFHCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-23-21(25)18-11-7-10-17(14-18)19-12-5-6-13-20(19)22(26)24-15-16-8-3-2-4-9-16/h2-14H,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide?
N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 344.41 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 171673970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).