(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride

C9H12Cl2N2O — CID 71755470

IUPAC(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride
SMILESCl.NC(=O)C[C@@H](N)c1ccccc1Cl
InChIInChI=1S/C9H11ClN2O.ClH/c10-7-4-2-1-3-6(7)8(11)5-9(12)13;/h1-4,8H,5,11H2,(H2,12,13);1H/t8-;/m1./s1
InChIKeyDVGYKGWYBQLESF-DDWIOCJRSA-N
MW235.11 g/mol
LogP1.64
Rot. Bonds3

About (3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride

(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride (PubChem CID 71755470) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride
PubChem CID71755470
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride
SMILESCl.NC(=O)C[C@@H](N)c1ccccc1Cl
InChIInChI=1S/C9H11ClN2O.ClH/c10-7-4-2-1-3-6(7)8(11)5-9(12)13;/h1-4,8H,5,11H2,(H2,12,13);1H/t8-;/m1./s1
InChIKeyDVGYKGWYBQLESF-DDWIOCJRSA-N
XLogP1.64
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(2,3-dichlorophenyl)propanamide
CID 29060246
[2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride
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4-amino-4-(2-chlorophenyl)butan-2-one
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3-(2-chlorophenyl)pentanediamide
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3-amino-3-(2-chlorophenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 44890909
3-amino-3-[2-(3-chlorophenyl)phenyl]propanamide
CID 165348994
2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzamide
CID 170876373
3-amino-3-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 170875799
4-amino-3-[1-(2-chlorophenyl)ethyl-methylamino]butanamide
CID 66427548
methyl 2-[2-(1,3-diamino-3-oxopropyl)phenyl]benzoate
CID 170876384
(1S)-1-(2-chlorophenyl)but-3-en-1-amine;hydrochloride
CID 50999277
3-amino-3-(2-trimethylsilyloxyphenyl)propanamide
CID 170875762

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride (CID 71755470) is (3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride is Cl.NC(=O)C[C@@H](N)c1ccccc1Cl.
What is the InChIKey of (3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride?
The InChIKey is DVGYKGWYBQLESF-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H11ClN2O.ClH/c10-7-4-2-1-3-6(7)8(11)5-9(12)13;/h1-4,8H,5,11H2,(H2,12,13);1H/t8-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride?
(3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride has a molecular weight of 235.11 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-chlorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 71755470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).