N-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide

C17H17ClN2O3 — CID 110923541

IUPACN-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CNc2cc(CO)ccc2Cl)c1
InChIInChI=1S/C17H17ClN2O3/c1-11(22)13-3-2-4-14(8-13)20-17(23)9-19-16-7-12(10-21)5-6-15(16)18/h2-8,19,21H,9-10H2,1H3,(H,20,23)
InChIKeyKRTPODDRRNCDAW-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.09
Rot. Bonds6

About N-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide

N-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide (PubChem CID 110923541) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide
PubChem CID110923541
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide
SMILESCC(=O)c1cccc(NC(=O)CNc2cc(CO)ccc2Cl)c1
InChIInChI=1S/C17H17ClN2O3/c1-11(22)13-3-2-4-14(8-13)20-17(23)9-19-16-7-12(10-21)5-6-15(16)18/h2-8,19,21H,9-10H2,1H3,(H,20,23)
InChIKeyKRTPODDRRNCDAW-UHFFFAOYSA-N
XLogP3.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 109009852
N-(3-acetylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 42069766
N-(3-acetylphenyl)-2-(4-chloroanilino)acetamide
CID 26506544
2-[2-chloro-5-(hydroxymethyl)anilino]-N-(4-ethoxyphenyl)acetamide
CID 110929606
2-[2-chloro-5-(hydroxymethyl)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 110929600
N-tert-butyl-3-[[2-(2,5-dichloroanilino)acetyl]amino]benzamide
CID 54819787
3-[[2-(2-chloroanilino)acetyl]amino]benzamide
CID 54810533
2-(3-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520
2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9084577
N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998163
3-[[2-[5-(butanoylamino)-2-chloroanilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54831270
2-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-(4-chlorophenyl)benzamide
CID 18228642

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide (CID 110923541) is N-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide is CC(=O)c1cccc(NC(=O)CNc2cc(CO)ccc2Cl)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide?
The InChIKey is KRTPODDRRNCDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11(22)13-3-2-4-14(8-13)20-17(23)9-19-16-7-12(10-21)5-6-15(16)18/h2-8,19,21H,9-10H2,1H3,(H,20,23).
What are the key properties of N-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide?
N-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide has a molecular weight of 332.79 g/mol, XLogP of 3.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[2-chloro-5-(hydroxymethyl)anilino]acetamide is sourced from PubChem (CID 110923541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).