2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide

C10H13ClN2O2 — CID 112568714

IUPAC2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide
SMILESCC(NCc1cccc(Cl)c1O)C(N)=O
InChIInChI=1S/C10H13ClN2O2/c1-6(10(12)15)13-5-7-3-2-4-8(11)9(7)14/h2-4,6,13-14H,5H2,1H3,(H2,12,15)
InChIKeyRVDBOBPCRMOLGI-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.01
Rot. Bonds4

About 2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide

2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide (PubChem CID 112568714) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide.

Molecular Properties

Compound Name2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide
PubChem CID112568714
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide
SMILESCC(NCc1cccc(Cl)c1O)C(N)=O
InChIInChI=1S/C10H13ClN2O2/c1-6(10(12)15)13-5-7-3-2-4-8(11)9(7)14/h2-4,6,13-14H,5H2,1H3,(H2,12,15)
InChIKeyRVDBOBPCRMOLGI-UHFFFAOYSA-N
XLogP1.01
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(3-chloro-2-hydroxyphenyl)methylamino]propanoate
CID 112606688
2-chloro-6-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]phenol
CID 103924012
tert-butyl N-[2-[(3-chloro-2-hydroxyphenyl)methylamino]propyl]carbamate
CID 107248591
(2R)-2-[(2,3-dihydroxyphenyl)methylamino]propanoic acid
CID 94213234
2-chloro-6-[(2-hydroxypropylamino)methyl]phenol
CID 112553929
2-chloro-6-[(4-methylsulfanylbutan-2-ylamino)methyl]phenol
CID 115907627
2-chloro-6-(methylaminomethyl)phenol;hydrochloride
CID 135396200
2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43232563
2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
CID 103940685
2-chloro-6-[[[(1R)-1-(3-methylphenyl)ethyl]amino]methyl]phenol
CID 103940649
2-chloro-6-[[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]methyl]phenol
CID 103923220
2-chloro-6-[[(1-ethoxy-3-methylbutan-2-yl)amino]methyl]phenol
CID 103275864

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide?
The IUPAC name of 2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide (CID 112568714) is 2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide.
What is the SMILES notation for 2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide?
The canonical SMILES for 2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide is CC(NCc1cccc(Cl)c1O)C(N)=O.
What is the InChIKey of 2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide?
The InChIKey is RVDBOBPCRMOLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-6(10(12)15)13-5-7-3-2-4-8(11)9(7)14/h2-4,6,13-14H,5H2,1H3,(H2,12,15).
What are the key properties of 2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide?
2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide has a molecular weight of 228.68 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-hydroxyphenyl)methylamino]propanamide is sourced from PubChem (CID 112568714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).