N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide

C17H17N3O — CID 63107973

IUPACN-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C17H17N3O/c1-12(2)19-16-10-6-4-8-14(16)17(21)20-15-9-5-3-7-13(15)11-18/h3-10,12,19H,1-2H3,(H,20,21)
InChIKeyFDDIKTNJGGPGES-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.63
Rot. Bonds4

About N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide

N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide (PubChem CID 63107973) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide
PubChem CID63107973
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1ccccc1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C17H17N3O/c1-12(2)19-16-10-6-4-8-14(16)17(21)20-15-9-5-3-7-13(15)11-18/h3-10,12,19H,1-2H3,(H,20,21)
InChIKeyFDDIKTNJGGPGES-UHFFFAOYSA-N
XLogP3.63
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-2-(propan-2-ylamino)benzamide
CID 63107622
2-bromo-N-(2-cyanophenyl)-3-methylbenzamide
CID 103857096
N-(2-cyanophenyl)-2-(trifluoromethyl)benzamide
CID 24695576
N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110864734
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
2-chloro-N-(2-cyanophenyl)-3-fluorobenzamide
CID 79044792
N-(2-cyanophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 110299301
N-(2-cyanophenyl)-2-propoxybenzamide
CID 4947824
N-(2-cyanophenyl)-2,5-dihydroxybenzamide
CID 107721971
N-(2-cyanophenyl)-3-propan-2-yloxybenzamide
CID 924558
(2-cyanophenyl)urea
CID 13155570
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide (CID 63107973) is N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide is CC(C)Nc1ccccc1C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide?
The InChIKey is FDDIKTNJGGPGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12(2)19-16-10-6-4-8-14(16)17(21)20-15-9-5-3-7-13(15)11-18/h3-10,12,19H,1-2H3,(H,20,21).
What are the key properties of N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide?
N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide has a molecular weight of 279.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 63107973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).