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

C10H13ClN2O — CID 24694047

IUPAC2-amino-N-(3-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N)cc1Cl
InChIInChI=1S/C10H13ClN2O/c1-6-3-4-8(5-9(6)11)13-10(14)7(2)12/h3-5,7H,12H2,1-2H3,(H,13,14)
InChIKeyVLVFTZDWZNVPHR-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.93
Rot. Bonds2

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

2-amino-N-(3-chloro-4-methylphenyl)propanamide (PubChem CID 24694047) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-4-methylphenyl)propanamide
PubChem CID24694047
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-amino-N-(3-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)N)cc1Cl
InChIInChI=1S/C10H13ClN2O/c1-6-3-4-8(5-9(6)11)13-10(14)7(2)12/h3-5,7H,12H2,1-2H3,(H,13,14)
InChIKeyVLVFTZDWZNVPHR-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid
CID 78973494
(2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide
CID 119317108
2-amino-N-(3-bromo-4-methylphenyl)propanamide
CID 63334898
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
CID 43711074
methyl 4-[[(2S)-2-aminopropanoyl]amino]-2-chlorobenzoate
CID 119329500
(2S)-2-amino-N-(3-chloro-4-methylphenyl)hexanamide
CID 113304721
1-(2-aminopropyl)-3-(3-chloro-4-methylphenyl)urea
CID 63733150
4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide
CID 82358486
2-(2-aminophenoxy)-N-(3-chloro-4-methylphenyl)propanamide
CID 82027590
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-4-methylphenyl)propanamide?
The IUPAC name of 2-amino-N-(3-chloro-4-methylphenyl)propanamide (CID 24694047) is 2-amino-N-(3-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(3-chloro-4-methylphenyl)propanamide?
The canonical SMILES for 2-amino-N-(3-chloro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)N)cc1Cl.
What is the InChIKey of 2-amino-N-(3-chloro-4-methylphenyl)propanamide?
The InChIKey is VLVFTZDWZNVPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-6-3-4-8(5-9(6)11)13-10(14)7(2)12/h3-5,7H,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-N-(3-chloro-4-methylphenyl)propanamide?
2-amino-N-(3-chloro-4-methylphenyl)propanamide has a molecular weight of 212.68 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 24694047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).