(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide

C9H10Cl2N2O — CID 22690595

IUPAC(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2O/c1-5(12)9(14)13-6-2-3-7(10)8(11)4-6/h2-5H,12H2,1H3,(H,13,14)/t5-/m0/s1
InChIKeySPNZMIXKAJOZKD-YFKPBYRVSA-N
MW233.10 g/mol
LogP2.28
Rot. Bonds2

About (2S)-2-amino-N-(3,4-dichlorophenyl)propanamide

(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide (PubChem CID 22690595) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
PubChem CID22690595
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
SMILESC[C@H](N)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2O/c1-5(12)9(14)13-6-2-3-7(10)8(11)4-6/h2-5H,12H2,1H3,(H,13,14)/t5-/m0/s1
InChIKeySPNZMIXKAJOZKD-YFKPBYRVSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-(3,4-dichlorophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(3-chloro-4-methylphenyl)propanamide
CID 24694047
(2S)-2-amino-N-(3-chloro-4-methylsulfanylphenyl)propanamide
CID 119317108
4-[[(2R)-2-aminopropanoyl]amino]-2-chlorobenzoic acid
CID 78973494
2-amino-N-(3,4-dichlorophenyl)-3,3-dimethylbutanamide
CID 70963721
2-amino-N-(4-chloro-3-cyanophenyl)propanamide
CID 43703829
methyl 4-[[(2S)-2-aminopropanoyl]amino]-2-chlorobenzoate
CID 119329500
2-amino-N-(4-chloro-3-nitrophenyl)propanamide
CID 43708462
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
2-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
CID 43711074
(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
CID 119285034
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3,4-dichlorophenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(3,4-dichlorophenyl)propanamide (CID 22690595) is (2S)-2-amino-N-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(3,4-dichlorophenyl)propanamide is C[C@H](N)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2S)-2-amino-N-(3,4-dichlorophenyl)propanamide?
The InChIKey is SPNZMIXKAJOZKD-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c1-5(12)9(14)13-6-2-3-7(10)8(11)4-6/h2-5H,12H2,1H3,(H,13,14)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N-(3,4-dichlorophenyl)propanamide?
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide has a molecular weight of 233.10 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 22690595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).