2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide

C16H16ClNO3 — CID 64794507

IUPAC2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C16H16ClNO3/c1-11(21-15-4-2-3-13(17)9-15)16(20)18-14-7-5-12(10-19)6-8-14/h2-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyGIRYOTWQQSVXOS-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.24
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide

2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide (PubChem CID 64794507) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
PubChem CID64794507
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C16H16ClNO3/c1-11(21-15-4-2-3-13(17)9-15)16(20)18-14-7-5-12(10-19)6-8-14/h2-9,11,19H,10H2,1H3,(H,18,20)
InChIKeyGIRYOTWQQSVXOS-UHFFFAOYSA-N
XLogP3.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-(4-ethylphenyl)propanamide
CID 966199
N-(4-butylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2933438
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide
CID 51332873
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2S)-2-(3-chlorophenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 30395136
(2S)-2-(3-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 1008579
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 62229280
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
CID 1313423
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide (CID 64794507) is 2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(CO)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide?
The InChIKey is GIRYOTWQQSVXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-11(21-15-4-2-3-13(17)9-15)16(20)18-14-7-5-12(10-19)6-8-14/h2-9,11,19H,10H2,1H3,(H,18,20).
What are the key properties of 2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide?
2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide has a molecular weight of 305.76 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[4-(hydroxymethyl)phenyl]propanamide is sourced from PubChem (CID 64794507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).