3-amino-N-(3-chloro-2-methylphenyl)-N-ethylpropanamide

C12H17ClN2O — CID 28795362

IUPAC3-amino-N-(3-chloro-2-methylphenyl)-N-ethylpropanamide
SMILESCCN(C(=O)CCN)c1cccc(Cl)c1C
InChIInChI=1S/C12H17ClN2O/c1-3-15(12(16)7-8-14)11-6-4-5-10(13)9(11)2/h4-6H,3,7-8,14H2,1-2H3
InChIKeyXPGIXIDXQCMUSW-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.35
Rot. Bonds4

About 3-amino-N-(3-chloro-2-methylphenyl)-N-ethylpropanamide

3-amino-N-(3-chloro-2-methylphenyl)-N-ethylpropanamide (PubChem CID 28795362) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-2-methylphenyl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-2-methylphenyl)-N-ethylpropanamide
PubChem CID28795362
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name3-amino-N-(3-chloro-2-methylphenyl)-N-ethylpropanamide
SMILESCCN(C(=O)CCN)c1cccc(Cl)c1C
InChIInChI=1S/C12H17ClN2O/c1-3-15(12(16)7-8-14)11-6-4-5-10(13)9(11)2/h4-6H,3,7-8,14H2,1-2H3
InChIKeyXPGIXIDXQCMUSW-UHFFFAOYSA-N
XLogP2.35
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,6-dichlorophenyl)-N-ethylpropanamide
CID 28795530
3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide
CID 113127594
3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127653
2-amino-N-(2,3-dimethylphenyl)-N-ethylacetamide
CID 28794703
3-amino-N-(2,6-diethylphenyl)-N-ethylpropanamide
CID 28795326
3-amino-N-(5-chloro-2-methoxyphenyl)-N-ethylpropanamide
CID 28795390
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
3-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylpropanamide
CID 113127573
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
2-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylacetamide
CID 113171731
2-[N-(carboxymethyl)-3-chloro-2-methylanilino]acetic acid
CID 58135098
2-amino-N-(2,4-dichlorophenyl)-N-ethylacetamide
CID 28794920

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-2-methylphenyl)-N-ethylpropanamide?
The IUPAC name of 3-amino-N-(3-chloro-2-methylphenyl)-N-ethylpropanamide (CID 28795362) is 3-amino-N-(3-chloro-2-methylphenyl)-N-ethylpropanamide.
What is the SMILES notation for 3-amino-N-(3-chloro-2-methylphenyl)-N-ethylpropanamide?
The canonical SMILES for 3-amino-N-(3-chloro-2-methylphenyl)-N-ethylpropanamide is CCN(C(=O)CCN)c1cccc(Cl)c1C.
What is the InChIKey of 3-amino-N-(3-chloro-2-methylphenyl)-N-ethylpropanamide?
The InChIKey is XPGIXIDXQCMUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-3-15(12(16)7-8-14)11-6-4-5-10(13)9(11)2/h4-6H,3,7-8,14H2,1-2H3.
What are the key properties of 3-amino-N-(3-chloro-2-methylphenyl)-N-ethylpropanamide?
3-amino-N-(3-chloro-2-methylphenyl)-N-ethylpropanamide has a molecular weight of 240.73 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-2-methylphenyl)-N-ethylpropanamide is sourced from PubChem (CID 28795362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).