N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide

C18H17N3O2 — CID 977438

IUPACN-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H17N3O2/c1-12(2)17(22)20-16-9-5-14(6-10-16)18(23)21-15-7-3-13(11-19)4-8-15/h3-10,12H,1-2H3,(H,20,22)(H,21,23)
InChIKeyFESFOHPXBLYISY-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.41
Rot. Bonds4

About N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide

N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide (PubChem CID 977438) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
PubChem CID977438
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H17N3O2/c1-12(2)17(22)20-16-9-5-14(6-10-16)18(23)21-15-7-3-13(11-19)4-8-15/h3-10,12H,1-2H3,(H,20,22)(H,21,23)
InChIKeyFESFOHPXBLYISY-UHFFFAOYSA-N
XLogP3.41
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-phenylethynyl)benzamide
CID 39723048
N-(4-cyanophenyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 26698371
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706
4-bromo-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 42120723
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
4-bromo-N-[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl]benzamide
CID 2448257
N-(4-cyanophenyl)-2-sulfanylpropanamide
CID 107021186
methyl 2-[4-[(4-cyanobenzoyl)amino]phenyl]acetate
CID 36829844

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide (CID 977438) is N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide?
The InChIKey is FESFOHPXBLYISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12(2)17(22)20-16-9-5-14(6-10-16)18(23)21-15-7-3-13(11-19)4-8-15/h3-10,12H,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide?
N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide has a molecular weight of 307.35 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 977438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).