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

C9H10Cl2N2O — CID 29060246

IUPAC(3S)-3-amino-3-(2,3-dichlorophenyl)propanamide
SMILESNC(=O)C[C@H](N)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H10Cl2N2O/c10-6-3-1-2-5(9(6)11)7(12)4-8(13)14/h1-3,7H,4,12H2,(H2,13,14)/t7-/m0/s1
InChIKeyIPCRPXPGFIBJDK-ZETCQYMHSA-N
MW233.10 g/mol
LogP1.87
Rot. Bonds3

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

(3S)-3-amino-3-(2,3-dichlorophenyl)propanamide (PubChem CID 29060246) has the molecular formula C9H10Cl2N2O and a molecular weight of 233.10 g/mol. Its IUPAC name is (3S)-3-amino-3-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(3S)-3-amino-3-(2,3-dichlorophenyl)propanamide
PubChem CID29060246
Molecular FormulaC9H10Cl2N2O
Molecular Weight233.10 g/mol
Exact Mass232.02
IUPAC Name(3S)-3-amino-3-(2,3-dichlorophenyl)propanamide
SMILESNC(=O)C[C@H](N)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H10Cl2N2O/c10-6-3-1-2-5(9(6)11)7(12)4-8(13)14/h1-3,7H,4,12H2,(H2,13,14)/t7-/m0/s1
InChIKeyIPCRPXPGFIBJDK-ZETCQYMHSA-N
XLogP1.87
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride
CID 71755470
3-amino-3-(2,3-dichlorophenyl)propanal
CID 123893980
(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171204529
3-(2-chlorophenyl)pentanediamide
CID 13034531
1-(2,3-dichlorophenyl)but-3-yn-1-amine
CID 87596872
(3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid
CID 130609315
3-amino-3-[2-(3-chlorophenyl)phenyl]propanamide
CID 165348994
(2,3-dichlorophenyl)methanediamine
CID 139660481
ethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate
CID 64542042
(1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine
CID 103693902
4-amino-4-(2-chlorophenyl)butan-2-one
CID 134204644
3-(2,3-dichlorophenyl)-3-hydroxypropanoate
CID 19770439

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2,3-dichlorophenyl)propanamide?
The IUPAC name of (3S)-3-amino-3-(2,3-dichlorophenyl)propanamide (CID 29060246) is (3S)-3-amino-3-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for (3S)-3-amino-3-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for (3S)-3-amino-3-(2,3-dichlorophenyl)propanamide is NC(=O)C[C@H](N)c1cccc(Cl)c1Cl.
What is the InChIKey of (3S)-3-amino-3-(2,3-dichlorophenyl)propanamide?
The InChIKey is IPCRPXPGFIBJDK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10Cl2N2O/c10-6-3-1-2-5(9(6)11)7(12)4-8(13)14/h1-3,7H,4,12H2,(H2,13,14)/t7-/m0/s1.
What are the key properties of (3S)-3-amino-3-(2,3-dichlorophenyl)propanamide?
(3S)-3-amino-3-(2,3-dichlorophenyl)propanamide has a molecular weight of 233.10 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 29060246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).