(2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride

C12H17Cl2N3O2 — CID 119294392

IUPAC(2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
SMILESC[C@@H](N)C(=O)N(C)CC(=O)Nc1cccc(Cl)c1.Cl
InChIInChI=1S/C12H16ClN3O2.ClH/c1-8(14)12(18)16(2)7-11(17)15-10-5-3-4-9(13)6-10;/h3-6,8H,7,14H2,1-2H3,(H,15,17);1H/t8-;/m1./s1
InChIKeySWMQONYXWRJRAB-DDWIOCJRSA-N
MW306.19 g/mol
LogP1.51
Rot. Bonds4

About (2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride

(2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride (PubChem CID 119294392) has the molecular formula C12H17Cl2N3O2 and a molecular weight of 306.19 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
PubChem CID119294392
Molecular FormulaC12H17Cl2N3O2
Molecular Weight306.19 g/mol
Exact Mass305.07
IUPAC Name(2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
SMILESC[C@@H](N)C(=O)N(C)CC(=O)Nc1cccc(Cl)c1.Cl
InChIInChI=1S/C12H16ClN3O2.ClH/c1-8(14)12(18)16(2)7-11(17)15-10-5-3-4-9(13)6-10;/h3-6,8H,7,14H2,1-2H3,(H,15,17);1H/t8-;/m1./s1
InChIKeySWMQONYXWRJRAB-DDWIOCJRSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119294380
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide
CID 119294381
1-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119294398
(2S)-N-[2-(3-chloroanilino)-2-oxoethyl]-N,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 52813858
2-amino-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride
CID 119268362
3-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119732546
5-amino-N-(3-chlorophenyl)hexanamide
CID 82849187
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
1-tert-butyl-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 55777899
N-(3-chlorophenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide
CID 38644459
N-(3-chlorophenyl)-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 9041038
2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide
CID 60944981

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride (CID 119294392) is (2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride is C[C@@H](N)C(=O)N(C)CC(=O)Nc1cccc(Cl)c1.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride?
The InChIKey is SWMQONYXWRJRAB-DDWIOCJRSA-N. The full InChI is InChI=1S/C12H16ClN3O2.ClH/c1-8(14)12(18)16(2)7-11(17)15-10-5-3-4-9(13)6-10;/h3-6,8H,7,14H2,1-2H3,(H,15,17);1H/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride?
(2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride has a molecular weight of 306.19 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(3-chloroanilino)-2-oxoethyl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119294392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).