2-amino-N-(4-chloro-3-cyanophenyl)propanamide

C10H10ClN3O — CID 43703829

IUPAC2-amino-N-(4-chloro-3-cyanophenyl)propanamide
SMILESCC(N)C(=O)Nc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C10H10ClN3O/c1-6(13)10(15)14-8-2-3-9(11)7(4-8)5-12/h2-4,6H,13H2,1H3,(H,14,15)
InChIKeyYFEKYPGAWTYSOG-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.50
Rot. Bonds2

About 2-amino-N-(4-chloro-3-cyanophenyl)propanamide

2-amino-N-(4-chloro-3-cyanophenyl)propanamide (PubChem CID 43703829) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-3-cyanophenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-3-cyanophenyl)propanamide
PubChem CID43703829
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC Name2-amino-N-(4-chloro-3-cyanophenyl)propanamide
SMILESCC(N)C(=O)Nc1ccc(Cl)c(C#N)c1
InChIInChI=1S/C10H10ClN3O/c1-6(13)10(15)14-8-2-3-9(11)7(4-8)5-12/h2-4,6H,13H2,1H3,(H,14,15)
InChIKeyYFEKYPGAWTYSOG-UHFFFAOYSA-N
XLogP1.50
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-cyanophenyl)-2-methyl-3-(methylamino)propanamide
CID 79196264
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
(2S)-2-amino-N-(4-chloro-3-cyanophenyl)-4-methylsulfanylbutanamide
CID 61179812
N-[1-(4-chloro-3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 47941338
2-amino-N-(4-chloro-3-nitrophenyl)propanamide
CID 43708462
2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
2-(4-chloro-3-cyanoanilino)propanoic acid
CID 66173106
(2S)-2-amino-N-(3-chloro-4-cyanophenyl)-3,3-dimethylbutanamide
CID 61149342
(2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide
CID 119317108
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid
CID 78973494
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-3-cyanophenyl)propanamide?
The IUPAC name of 2-amino-N-(4-chloro-3-cyanophenyl)propanamide (CID 43703829) is 2-amino-N-(4-chloro-3-cyanophenyl)propanamide.
What is the SMILES notation for 2-amino-N-(4-chloro-3-cyanophenyl)propanamide?
The canonical SMILES for 2-amino-N-(4-chloro-3-cyanophenyl)propanamide is CC(N)C(=O)Nc1ccc(Cl)c(C#N)c1.
What is the InChIKey of 2-amino-N-(4-chloro-3-cyanophenyl)propanamide?
The InChIKey is YFEKYPGAWTYSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-6(13)10(15)14-8-2-3-9(11)7(4-8)5-12/h2-4,6H,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-(4-chloro-3-cyanophenyl)propanamide?
2-amino-N-(4-chloro-3-cyanophenyl)propanamide has a molecular weight of 223.66 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-chloro-3-cyanophenyl)propanamide is sourced from PubChem (CID 43703829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).