3-[(4-chlorophenyl)methylamino]-2-hydroxypropanamide

C10H13ClN2O2 — CID 106170521

IUPAC3-[(4-chlorophenyl)methylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O2/c11-8-3-1-7(2-4-8)5-13-6-9(14)10(12)15/h1-4,9,13-14H,5-6H2,(H2,12,15)
InChIKeyJKZGHDAZPOCKLZ-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.28
Rot. Bonds5

About 3-[(4-chlorophenyl)methylamino]-2-hydroxypropanamide

3-[(4-chlorophenyl)methylamino]-2-hydroxypropanamide (PubChem CID 106170521) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylamino]-2-hydroxypropanamide
PubChem CID106170521
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name3-[(4-chlorophenyl)methylamino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNCc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O2/c11-8-3-1-7(2-4-8)5-13-6-9(14)10(12)15/h1-4,9,13-14H,5-6H2,(H2,12,15)
InChIKeyJKZGHDAZPOCKLZ-UHFFFAOYSA-N
XLogP0.28
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chloro-benzylamino)-ethanol
CID 424452
3-(((4-Chlorophenyl)methyl)amino)-1,1,1-trifluoro-2-propanol
CID 3812359
N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carboxamide
CID 89489296
Moclobemide metabolite M12
CID 86127855
2-Pyrrolidinone, 1-(3-(((4-chlorophenyl)methyl)amino)-2-hydroxypropyl)-, monohydrochloride
CID 3075722
N-[(4-chlorophenyl)methyl]-N'-hydroxypropanediamide
CID 16116188
N-[(2,6-dichlorophenyl)methyl]-2-hydroxyacetamide
CID 118987239
N-[1-(4-chlorophenyl)ethyl]-2-hydroxy-3,3-dimethylbutanamide
CID 76312906
2-{[(4-Chloro-3-fluorophenyl)methyl]amino}ethan-1-ol
CID 61652397
1-[(4-Chlorophenyl)methylamino]-3-(diethylamino)propan-2-ol;oxalic acid
CID 16232249
N~1~-(2-chlorobenzyl)-N~2~-(2-hydroxyethyl)ethanediamide
CID 4354956
N-(4-chlorobenzyl)-2-methoxyacetamide
CID 886027

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[(4-chlorophenyl)methylamino]-2-hydroxypropanamide (CID 106170521) is 3-[(4-chlorophenyl)methylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylamino]-2-hydroxypropanamide is NC(=O)C(O)CNCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylamino]-2-hydroxypropanamide?
The InChIKey is JKZGHDAZPOCKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-8-3-1-7(2-4-8)5-13-6-9(14)10(12)15/h1-4,9,13-14H,5-6H2,(H2,12,15).
What are the key properties of 3-[(4-chlorophenyl)methylamino]-2-hydroxypropanamide?
3-[(4-chlorophenyl)methylamino]-2-hydroxypropanamide has a molecular weight of 228.68 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106170521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).