N-[4-(2-cyanoanilino)phenyl]benzamide

C20H15N3O — CID 112989829

IUPACN-[4-(2-cyanoanilino)phenyl]benzamide
SMILESN#Cc1ccccc1Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H15N3O/c21-14-16-8-4-5-9-19(16)22-17-10-12-18(13-11-17)23-20(24)15-6-2-1-3-7-15/h1-13,22H,(H,23,24)
InChIKeyWMEGBQWEMKBYNN-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.55
Rot. Bonds4

About N-[4-(2-cyanoanilino)phenyl]benzamide

N-[4-(2-cyanoanilino)phenyl]benzamide (PubChem CID 112989829) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[4-(2-cyanoanilino)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-cyanoanilino)phenyl]benzamide
PubChem CID112989829
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC NameN-[4-(2-cyanoanilino)phenyl]benzamide
SMILESN#Cc1ccccc1Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C20H15N3O/c21-14-16-8-4-5-9-19(16)22-17-10-12-18(13-11-17)23-20(24)15-6-2-1-3-7-15/h1-13,22H,(H,23,24)
InChIKeyWMEGBQWEMKBYNN-UHFFFAOYSA-N
XLogP4.55
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
N-(4-acetamidophenyl)-5-(2-cyanoanilino)pyridine-3-carboxamide
CID 109245887
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide
CID 112989877
N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113037053
methyl 2-(4-benzamidoanilino)benzoate
CID 112988422
4-N-(2-cyanophenyl)-1-N-(3,4-dimethylphenyl)benzene-1,4-dicarboxamide
CID 109049652
(4-benzamidophenyl)carbamic acid
CID 18543096
N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide
CID 112989824
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
N-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide
CID 58861214
3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
CID 17226453

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanoanilino)phenyl]benzamide?
The IUPAC name of N-[4-(2-cyanoanilino)phenyl]benzamide (CID 112989829) is N-[4-(2-cyanoanilino)phenyl]benzamide.
What is the SMILES notation for N-[4-(2-cyanoanilino)phenyl]benzamide?
The canonical SMILES for N-[4-(2-cyanoanilino)phenyl]benzamide is N#Cc1ccccc1Nc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(2-cyanoanilino)phenyl]benzamide?
The InChIKey is WMEGBQWEMKBYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c21-14-16-8-4-5-9-19(16)22-17-10-12-18(13-11-17)23-20(24)15-6-2-1-3-7-15/h1-13,22H,(H,23,24).
What are the key properties of N-[4-(2-cyanoanilino)phenyl]benzamide?
N-[4-(2-cyanoanilino)phenyl]benzamide has a molecular weight of 313.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanoanilino)phenyl]benzamide is sourced from PubChem (CID 112989829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).