N-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide

C10H12Cl2N2O — CID 11630154

IUPACN-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide
SMILESCc1cc(N)c(NC(=O)C(C)Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-5-3-8(13)9(4-7(5)12)14-10(15)6(2)11/h3-4,6H,13H2,1-2H3,(H,14,15)
InChIKeyZKGHTZVNQXBLHV-UHFFFAOYSA-N
MW247.12 g/mol
LogP2.80
Rot. Bonds2

About N-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide

N-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide (PubChem CID 11630154) has the molecular formula C10H12Cl2N2O and a molecular weight of 247.12 g/mol. Its IUPAC name is N-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide.

Molecular Properties

Compound NameN-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide
PubChem CID11630154
Molecular FormulaC10H12Cl2N2O
Molecular Weight247.12 g/mol
Exact Mass246.03
IUPAC NameN-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide
SMILESCc1cc(N)c(NC(=O)C(C)Cl)cc1Cl
InChIInChI=1S/C10H12Cl2N2O/c1-5-3-8(13)9(4-7(5)12)14-10(15)6(2)11/h3-4,6H,13H2,1-2H3,(H,14,15)
InChIKeyZKGHTZVNQXBLHV-UHFFFAOYSA-N
XLogP2.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,5-difluorophenyl)-2-chloropropanamide
CID 11564909
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
tert-butyl N-(2-amino-5-chloro-4-methylphenyl)carbamate
CID 69489430
(2S)-2-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbutanamide
CID 104727039
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
N-(2-amino-5-chloro-4-methylphenyl)-4-tert-butylbenzamide
CID 91687297
N-(4-amino-5-chloro-2-methylphenyl)-2-methylsulfonylpropanamide
CID 104667456
N-(2-amino-5-chloro-4-methylphenyl)-3,5-dichloro-4-methoxybenzamide
CID 91687685
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide
CID 91687295
4-amino-N-(2,5-dichloro-4-methylphenyl)-2-methylbutanamide
CID 104727116
2-chloro-N-(2-methylphenyl)propanamide
CID 3858908

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide?
The IUPAC name of N-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide (CID 11630154) is N-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide.
What is the SMILES notation for N-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide?
The canonical SMILES for N-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide is Cc1cc(N)c(NC(=O)C(C)Cl)cc1Cl.
What is the InChIKey of N-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide?
The InChIKey is ZKGHTZVNQXBLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O/c1-5-3-8(13)9(4-7(5)12)14-10(15)6(2)11/h3-4,6H,13H2,1-2H3,(H,14,15).
What are the key properties of N-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide?
N-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide has a molecular weight of 247.12 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chloro-4-methylphenyl)-2-chloropropanamide is sourced from PubChem (CID 11630154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).