N-(3-chloro-2-ethanimidoyl-5-methylphenyl)propanamide

C12H15ClN2O — CID 176566314

IUPACN-(3-chloro-2-ethanimidoyl-5-methylphenyl)propanamide
SMILES[H]/N=C(\C)c1c(Cl)cc(C)cc1NC(=O)CC
InChIInChI=1S/C12H15ClN2O/c1-4-11(16)15-10-6-7(2)5-9(13)12(10)8(3)14/h5-6,14H,4H2,1-3H3,(H,15,16)/b14-8+
InChIKeyBJTMTFNUEFOWTB-RIYZIHGNSA-N
MW238.72 g/mol
LogP3.38
Rot. Bonds3

About N-(3-chloro-2-ethanimidoyl-5-methylphenyl)propanamide

N-(3-chloro-2-ethanimidoyl-5-methylphenyl)propanamide (PubChem CID 176566314) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-(3-chloro-2-ethanimidoyl-5-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-ethanimidoyl-5-methylphenyl)propanamide
PubChem CID176566314
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-(3-chloro-2-ethanimidoyl-5-methylphenyl)propanamide
SMILES[H]/N=C(\C)c1c(Cl)cc(C)cc1NC(=O)CC
InChIInChI=1S/C12H15ClN2O/c1-4-11(16)15-10-6-7(2)5-9(13)12(10)8(3)14/h5-6,14H,4H2,1-3H3,(H,15,16)/b14-8+
InChIKeyBJTMTFNUEFOWTB-RIYZIHGNSA-N
XLogP3.38
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-ethanimidoyl-5-methylbenzenethiol
CID 176565894
N-(3-chloro-2-ethanimidoyl-5-methylphenyl)oxetan-3-amine
CID 176565933
3-chloro-2-ethanimidoyl-5-methylbenzenethiol;ethane
CID 176565893
ethane;methyl N-(2-ethanimidoyl-3-fluoro-5-methylphenyl)carbamate
CID 176566890
N-(2,4-dichlorophenyl)propanamide
CID 923083
N-(3,5-dichloro-2-hydroxy-4-methylphenyl)propanamide
CID 59817322
N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propanamide
CID 112987182
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
N-(2-chloro-4,5-diethoxyphenyl)propanamide
CID 852887
N-(2-chloro-5-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119705341
N-(2-ethyl-4-methylphenyl)propanamide
CID 90352566
2,6-dichloro-4-methylbenzoyl chloride
CID 15065184

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-ethanimidoyl-5-methylphenyl)propanamide?
The IUPAC name of N-(3-chloro-2-ethanimidoyl-5-methylphenyl)propanamide (CID 176566314) is N-(3-chloro-2-ethanimidoyl-5-methylphenyl)propanamide.
What is the SMILES notation for N-(3-chloro-2-ethanimidoyl-5-methylphenyl)propanamide?
The canonical SMILES for N-(3-chloro-2-ethanimidoyl-5-methylphenyl)propanamide is [H]/N=C(\C)c1c(Cl)cc(C)cc1NC(=O)CC.
What is the InChIKey of N-(3-chloro-2-ethanimidoyl-5-methylphenyl)propanamide?
The InChIKey is BJTMTFNUEFOWTB-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-4-11(16)15-10-6-7(2)5-9(13)12(10)8(3)14/h5-6,14H,4H2,1-3H3,(H,15,16)/b14-8+.
What are the key properties of N-(3-chloro-2-ethanimidoyl-5-methylphenyl)propanamide?
N-(3-chloro-2-ethanimidoyl-5-methylphenyl)propanamide has a molecular weight of 238.72 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-ethanimidoyl-5-methylphenyl)propanamide is sourced from PubChem (CID 176566314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).