N-(2-chloro-4-cyanophenyl)-2-cyanopentanamide

C13H12ClN3O — CID 107808316

IUPACN-(2-chloro-4-cyanophenyl)-2-cyanopentanamide
SMILESCCCC(C#N)C(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C13H12ClN3O/c1-2-3-10(8-16)13(18)17-12-5-4-9(7-15)6-11(12)14/h4-6,10H,2-3H2,1H3,(H,17,18)
InChIKeyAYNMETAWDKVVNP-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.09
Rot. Bonds4

About N-(2-chloro-4-cyanophenyl)-2-cyanopentanamide

N-(2-chloro-4-cyanophenyl)-2-cyanopentanamide (PubChem CID 107808316) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-2-cyanopentanamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-2-cyanopentanamide
PubChem CID107808316
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-(2-chloro-4-cyanophenyl)-2-cyanopentanamide
SMILESCCCC(C#N)C(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C13H12ClN3O/c1-2-3-10(8-16)13(18)17-12-5-4-9(7-15)6-11(12)14/h4-6,10H,2-3H2,1H3,(H,17,18)
InChIKeyAYNMETAWDKVVNP-UHFFFAOYSA-N
XLogP3.09
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide
CID 114003459
N-(2-bromo-4-chlorophenyl)-2-cyanopentanamide
CID 81271570
(2S)-2-amino-N-(2-chloro-4-cyanophenyl)-3-methylpentanamide
CID 107808073
(2S)-2-[(2-chloro-4-cyanophenyl)carbamoylamino]hexanoic acid
CID 107809363
N-(4-bromo-2-ethylphenyl)-2-cyanopentanamide
CID 81292095
N-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide
CID 115188142
N-(4-bromo-3-chlorophenyl)-2-cyanopentanamide
CID 107620353
(2R)-2-[(2-chloro-4-cyanophenyl)carbamoylamino]propanoic acid
CID 107809286
2-(2-chloro-4-cyanoanilino)butanamide
CID 107807872
1-(2-chloro-4-cyanophenyl)-3-(4-cyanophenyl)urea
CID 107808221
N-(2-bromo-5-methylphenyl)-2-cyanopentanamide
CID 82757658
3-chloro-4-(hex-1-yn-3-ylamino)benzonitrile
CID 106230863

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-2-cyanopentanamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-2-cyanopentanamide (CID 107808316) is N-(2-chloro-4-cyanophenyl)-2-cyanopentanamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-2-cyanopentanamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-2-cyanopentanamide is CCCC(C#N)C(=O)Nc1ccc(C#N)cc1Cl.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-2-cyanopentanamide?
The InChIKey is AYNMETAWDKVVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-2-3-10(8-16)13(18)17-12-5-4-9(7-15)6-11(12)14/h4-6,10H,2-3H2,1H3,(H,17,18).
What are the key properties of N-(2-chloro-4-cyanophenyl)-2-cyanopentanamide?
N-(2-chloro-4-cyanophenyl)-2-cyanopentanamide has a molecular weight of 261.71 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-2-cyanopentanamide is sourced from PubChem (CID 107808316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).