(2R)-2-(3-chloroanilino)propanamide;hydrochloride

C9H12Cl2N2O — CID 164755970

IUPAC(2R)-2-(3-chloroanilino)propanamide;hydrochloride
SMILESC[C@@H](Nc1cccc(Cl)c1)C(N)=O.Cl
InChIInChI=1S/C9H11ClN2O.ClH/c1-6(9(11)13)12-8-4-2-3-7(10)5-8;/h2-6,12H,1H3,(H2,11,13);1H/t6-;/m1./s1
InChIKeyLDFGJIPMMWBNDN-FYZOBXCZSA-N
MW235.11 g/mol
LogP2.05
Rot. Bonds3

About (2R)-2-(3-chloroanilino)propanamide;hydrochloride

(2R)-2-(3-chloroanilino)propanamide;hydrochloride (PubChem CID 164755970) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is (2R)-2-(3-chloroanilino)propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(3-chloroanilino)propanamide;hydrochloride
PubChem CID164755970
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name(2R)-2-(3-chloroanilino)propanamide;hydrochloride
SMILESC[C@@H](Nc1cccc(Cl)c1)C(N)=O.Cl
InChIInChI=1S/C9H11ClN2O.ClH/c1-6(9(11)13)12-8-4-2-3-7(10)5-8;/h2-6,12H,1H3,(H2,11,13);1H/t6-;/m1./s1
InChIKeyLDFGJIPMMWBNDN-FYZOBXCZSA-N
XLogP2.05
TPSA55.12 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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dichloroanilino)propanamide
CID 43085996
2-(4-chloroanilino)propanamide
CID 43085931
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
2-(3-chloroanilino)-2-(2,6-dichlorophenyl)acetamide
CID 61006415
N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
CID 54104367
2-(3-chloroanilino)-4-ethylsulfanylbutanamide
CID 116504285
1-(1-amino-1-sulfanylidenepropan-2-yl)-3-(3-chlorophenyl)urea
CID 61122602
2-(3-chloroanilino)-2-(3,4-dichlorophenyl)acetamide
CID 61005060
ethyl 2-(3-chloroanilino)-3-methylbutanoate
CID 61317893
2-(3-chloroanilino)-N-[1-(4-methylphenyl)ethylideneamino]propanamide
CID 4654925
3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51167571
2-(3-chloroanilino)-2-cyclohexylacetamide
CID 54892064

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloroanilino)propanamide;hydrochloride?
The IUPAC name of (2R)-2-(3-chloroanilino)propanamide;hydrochloride (CID 164755970) is (2R)-2-(3-chloroanilino)propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-(3-chloroanilino)propanamide;hydrochloride?
The canonical SMILES for (2R)-2-(3-chloroanilino)propanamide;hydrochloride is C[C@@H](Nc1cccc(Cl)c1)C(N)=O.Cl.
What is the InChIKey of (2R)-2-(3-chloroanilino)propanamide;hydrochloride?
The InChIKey is LDFGJIPMMWBNDN-FYZOBXCZSA-N. The full InChI is InChI=1S/C9H11ClN2O.ClH/c1-6(9(11)13)12-8-4-2-3-7(10)5-8;/h2-6,12H,1H3,(H2,11,13);1H/t6-;/m1./s1.
What are the key properties of (2R)-2-(3-chloroanilino)propanamide;hydrochloride?
(2R)-2-(3-chloroanilino)propanamide;hydrochloride has a molecular weight of 235.11 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloroanilino)propanamide;hydrochloride is sourced from PubChem (CID 164755970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).