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

C18H17N3O — CID 112989877

IUPACN-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide
SMILESN#Cc1ccccc1Nc1ccc(NC(=O)C2CCC2)cc1
InChIInChI=1S/C18H17N3O/c19-12-14-4-1-2-7-17(14)20-15-8-10-16(11-9-15)21-18(22)13-5-3-6-13/h1-2,4,7-11,13,20H,3,5-6H2,(H,21,22)
InChIKeyMFERVJGDEQPJBK-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.04
Rot. Bonds4

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

N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide (PubChem CID 112989877) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide
PubChem CID112989877
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide
SMILESN#Cc1ccccc1Nc1ccc(NC(=O)C2CCC2)cc1
InChIInChI=1S/C18H17N3O/c19-12-14-4-1-2-7-17(14)20-15-8-10-16(11-9-15)21-18(22)13-5-3-6-13/h1-2,4,7-11,13,20H,3,5-6H2,(H,21,22)
InChIKeyMFERVJGDEQPJBK-UHFFFAOYSA-N
XLogP4.04
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide
CID 112989824
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113037041
N-[4-[(3-cyano-4-pyridinyl)amino]phenyl]cyclopropanecarboxamide
CID 100618809
N-[4-(2-cyanoanilino)phenyl]benzamide
CID 112989829
N-[6-(2-cyanoanilino)-3-pyridinyl]oxane-4-carboxamide
CID 113022700
N-[4-(2,3-dimethylanilino)phenyl]cyclobutanecarboxamide
CID 112986454
4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109150947
N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
CID 79005674
4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151123
trans-(1S,3S)-N-(2-cyanophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 95568627
1-N-(1,3-benzodioxol-5-yl)-4-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151131

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide (CID 112989877) is N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide is N#Cc1ccccc1Nc1ccc(NC(=O)C2CCC2)cc1.
What is the InChIKey of N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide?
The InChIKey is MFERVJGDEQPJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c19-12-14-4-1-2-7-17(14)20-15-8-10-16(11-9-15)21-18(22)13-5-3-6-13/h1-2,4,7-11,13,20H,3,5-6H2,(H,21,22).
What are the key properties of N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide?
N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide has a molecular weight of 291.35 g/mol, XLogP of 4.04, 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]cyclobutanecarboxamide is sourced from PubChem (CID 112989877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).