3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide

C11H15ClN2O2 — CID 106111180

IUPAC3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C11H15ClN2O2/c1-7-3-4-8(12)5-9(7)14-11(15)10(6-13)16-2/h3-5,10H,6,13H2,1-2H3,(H,14,15)
InChIKeyNAKNSODGSOBCAY-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.56
Rot. Bonds4

About 3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide

3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide (PubChem CID 106111180) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide
PubChem CID106111180
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C11H15ClN2O2/c1-7-3-4-8(12)5-9(7)14-11(15)10(6-13)16-2/h3-5,10H,6,13H2,1-2H3,(H,14,15)
InChIKeyNAKNSODGSOBCAY-UHFFFAOYSA-N
XLogP1.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methoxy-N-[2-methyl-5-(methylsulfamoyl)phenyl]propanamide
CID 106111402
(2S)-2-bromo-N-(5-chloro-2-methylphenyl)propanamide
CID 94063637
3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide
CID 106111632
(2R)-N-(5-chloro-2-methylphenyl)-2-phenoxybutanamide
CID 879700
ethyl 2-[(5-chloro-2-methylphenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116537564
2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)butanamide
CID 132653123
N-(5-chloro-2-methylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79195653
3-amino-N-(5-chloro-2-methylphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119676324
3-amino-N-(5-chloro-2-pyridinyl)-2-methoxypropanamide
CID 106111210
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
(2S)-N-(5-chloro-2-methylphenyl)-2-(2-fluorophenoxy)butanamide
CID 9173655
4-amino-N-(5-chloro-2-methylphenyl)pentanamide;hydrochloride
CID 120558801

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide (CID 106111180) is 3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide is COC(CN)C(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of 3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide?
The InChIKey is NAKNSODGSOBCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7-3-4-8(12)5-9(7)14-11(15)10(6-13)16-2/h3-5,10H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide?
3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide has a molecular weight of 242.71 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide is sourced from PubChem (CID 106111180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).