N-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide

C20H21N3O — CID 112989923

IUPACN-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide
SMILESN#Cc1cccc(Nc2ccc(NC(=O)C3CCCCC3)cc2)c1
InChIInChI=1S/C20H21N3O/c21-14-15-5-4-8-19(13-15)22-17-9-11-18(12-10-17)23-20(24)16-6-2-1-3-7-16/h4-5,8-13,16,22H,1-3,6-7H2,(H,23,24)
InChIKeyYKVUIGJGLUMOHU-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.82
Rot. Bonds4

About N-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide

N-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide (PubChem CID 112989923) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide
PubChem CID112989923
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide
SMILESN#Cc1cccc(Nc2ccc(NC(=O)C3CCCCC3)cc2)c1
InChIInChI=1S/C20H21N3O/c21-14-15-5-4-8-19(13-15)22-17-9-11-18(12-10-17)23-20(24)16-6-2-1-3-7-16/h4-5,8-13,16,22H,1-3,6-7H2,(H,23,24)
InChIKeyYKVUIGJGLUMOHU-UHFFFAOYSA-N
XLogP4.82
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-cyanoanilino)phenyl]-3-cyclohexylurea
CID 112989973
4-N-(3-cyanophenyl)-1-N-(3,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151170
3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide
CID 63042853
N-[5-(3-cyanoanilino)-2-pyridinyl]oxane-4-carboxamide
CID 113037203
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
CID 110864808
1-N-(3-chloro-4-methylphenyl)-4-N-(3-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151001
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
1-N-(4-cyanophenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150457
N-[4-(3-methylanilino)phenyl]cyclopropanecarboxamide
CID 112985938
1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143968
N-[4-(2-cyanoanilino)phenyl]cyclobutanecarboxamide
CID 112989877
(2R)-N-(3-cyanophenyl)pyrrolidine-2-carboxamide
CID 104900460

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide (CID 112989923) is N-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide is N#Cc1cccc(Nc2ccc(NC(=O)C3CCCCC3)cc2)c1.
What is the InChIKey of N-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide?
The InChIKey is YKVUIGJGLUMOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c21-14-15-5-4-8-19(13-15)22-17-9-11-18(12-10-17)23-20(24)16-6-2-1-3-7-16/h4-5,8-13,16,22H,1-3,6-7H2,(H,23,24).
What are the key properties of N-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide?
N-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide has a molecular weight of 319.41 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyanoanilino)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 112989923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).