N-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide

C11H14ClNO3 — CID 171862528

IUPACN-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(O)C(O)CCl)cc1
InChIInChI=1S/C11H14ClNO3/c1-7(14)13-9-4-2-8(3-5-9)11(16)10(15)6-12/h2-5,10-11,15-16H,6H2,1H3,(H,13,14)
InChIKeyPODXOMBXZMKHBM-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.28
Rot. Bonds4

About N-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide

N-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide (PubChem CID 171862528) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is N-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide
PubChem CID171862528
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC NameN-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(O)C(O)CCl)cc1
InChIInChI=1S/C11H14ClNO3/c1-7(14)13-9-4-2-8(3-5-9)11(16)10(15)6-12/h2-5,10-11,15-16H,6H2,1H3,(H,13,14)
InChIKeyPODXOMBXZMKHBM-UHFFFAOYSA-N
XLogP1.28
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(tert-butylamino)-1-hydroxypropyl]phenyl]acetamide
CID 82314635
2-chloro-N-[4-(1,2-dihydroxy-3-sulfanylpropyl)phenyl]acetamide
CID 170820573
N-[4-(2-bromo-1-hydroxyethyl)phenyl]acetamide
CID 22563212
4-(4-acetamidophenyl)-4-hydroxy-3-(methylamino)butanoic acid
CID 82348713
N-[4-[3-(4-acetamidophenyl)-1,3-dichloro-2-oxopropyl]phenyl]acetamide
CID 139644819
(3S)-3-(4-acetamidophenyl)-3-hydroxypropanoic acid
CID 95997401
2-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetic acid
CID 171862336
methyl 4-(4-acetamidophenyl)-3-amino-4-hydroxybutanoate
CID 82348721
3,3-bis(4-acetamidophenyl)propanoic acid
CID 20632812
2-[[1-(4-acetamidophenyl)-1-hydroxybutan-2-yl]amino]acetic acid
CID 82314656
3-[[1-(4-acetamidophenyl)-1-hydroxypropan-2-yl]amino]propanoic acid
CID 82314646
N-[3-(4-chloro-1,2-dihydroxybutyl)phenyl]acetamide
CID 171894292

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide?
The IUPAC name of N-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide (CID 171862528) is N-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide is CC(=O)Nc1ccc(C(O)C(O)CCl)cc1.
What is the InChIKey of N-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide?
The InChIKey is PODXOMBXZMKHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-7(14)13-9-4-2-8(3-5-9)11(16)10(15)6-12/h2-5,10-11,15-16H,6H2,1H3,(H,13,14).
What are the key properties of N-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide?
N-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide has a molecular weight of 243.69 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-1,2-dihydroxypropyl)phenyl]acetamide is sourced from PubChem (CID 171862528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).