3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide

C11H15ClN2O2 — CID 106172166

IUPAC3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide
SMILESCc1cc(Cl)ccc1CNCC(O)C(N)=O
InChIInChI=1S/C11H15ClN2O2/c1-7-4-9(12)3-2-8(7)5-14-6-10(15)11(13)16/h2-4,10,14-15H,5-6H2,1H3,(H2,13,16)
InChIKeyWQIZPUKBHUIQIF-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.58
Rot. Bonds5

About 3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide

3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide (PubChem CID 106172166) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide
PubChem CID106172166
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide
SMILESCc1cc(Cl)ccc1CNCC(O)C(N)=O
InChIInChI=1S/C11H15ClN2O2/c1-7-4-9(12)3-2-8(7)5-14-6-10(15)11(13)16/h2-4,10,14-15H,5-6H2,1H3,(H2,13,16)
InChIKeyWQIZPUKBHUIQIF-UHFFFAOYSA-N
XLogP0.58
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chloro-2-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106171926
3-[(5-fluoro-2-methylphenyl)methylamino]-2-hydroxypropanamide
CID 106171518
2-hydroxy-3-[(4-methyl-3-pyridinyl)methylamino]propanamide
CID 106171675
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-hydroxypropanamide
CID 106174844
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
3-[(5-bromo-2-fluorophenyl)methylamino]-2-hydroxypropanamide
CID 106170380
3-[(4-chloro-2-methylphenyl)methylamino]butanamide
CID 104854330
3-[(4-chloro-2-methylphenyl)methylamino]propan-1-ol
CID 104853816
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide
CID 106171414
2-[(4-chloro-2-methylphenyl)methylamino]propane-1,3-diol
CID 104854266
3-[(2,6-dichlorophenyl)methylamino]-2-hydroxypropanamide
CID 106170892

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide (CID 106172166) is 3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide is Cc1cc(Cl)ccc1CNCC(O)C(N)=O.
What is the InChIKey of 3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide?
The InChIKey is WQIZPUKBHUIQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7-4-9(12)3-2-8(7)5-14-6-10(15)11(13)16/h2-4,10,14-15H,5-6H2,1H3,(H2,13,16).
What are the key properties of 3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide?
3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide has a molecular weight of 242.71 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-2-methylphenyl)methylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106172166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).