2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide

C13H16ClN3O — CID 114003459

IUPAC2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C13H16ClN3O/c1-2-3-10(8-16)13(18)17-12-5-4-9(7-15)6-11(12)14/h4-6,10H,2-3,8,16H2,1H3,(H,17,18)
InChIKeyBONNORPPDOXIRJ-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.53
Rot. Bonds5

About 2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide

2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide (PubChem CID 114003459) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide
PubChem CID114003459
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide
SMILESCCCC(CN)C(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C13H16ClN3O/c1-2-3-10(8-16)13(18)17-12-5-4-9(7-15)6-11(12)14/h4-6,10H,2-3,8,16H2,1H3,(H,17,18)
InChIKeyBONNORPPDOXIRJ-UHFFFAOYSA-N
XLogP2.53
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4-cyanophenyl)-2-cyanopentanamide
CID 107808316
(2S)-2-amino-N-(2-chloro-4-cyanophenyl)-3-methylpentanamide
CID 107808073
2-(aminomethyl)-N-(4-chloro-2-methylphenyl)pentanamide
CID 65225535
2-(aminomethyl)-N-(2-chloro-5-fluorophenyl)pentanamide
CID 107528482
(2S)-2-[(2-chloro-4-cyanophenyl)carbamoylamino]hexanoic acid
CID 107809363
2-(aminomethyl)-N-(2,3-dichlorophenyl)pentanamide
CID 65225946
2-(2-chloro-4-cyanoanilino)butanamide
CID 107807872
2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)pentanamide
CID 65228312
2-[2-(aminomethyl)phenyl]-N-(2-chloro-4-cyanophenyl)acetamide
CID 107808029
2-(aminomethyl)-N-(3-chloro-4-methylphenyl)pentanamide
CID 65224354
(2R)-2-[(2-chloro-4-cyanophenyl)carbamoylamino]propanoic acid
CID 107809286
2-(aminomethyl)-N-(4-bromo-2-ethylphenyl)pentanamide
CID 81292193

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide (CID 114003459) is 2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide is CCCC(CN)C(=O)Nc1ccc(C#N)cc1Cl.
What is the InChIKey of 2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide?
The InChIKey is BONNORPPDOXIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-2-3-10(8-16)13(18)17-12-5-4-9(7-15)6-11(12)14/h4-6,10H,2-3,8,16H2,1H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide?
2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide has a molecular weight of 265.74 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-chloro-4-cyanophenyl)pentanamide is sourced from PubChem (CID 114003459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).