3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide

C16H15ClN2O3 — CID 47005544

IUPAC3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)Nc1cccc(CO)c1
InChIInChI=1S/C16H15ClN2O3/c17-13-5-2-4-12(8-13)16(22)18-9-15(21)19-14-6-1-3-11(7-14)10-20/h1-8,20H,9-10H2,(H,18,22)(H,19,21)
InChIKeyZOEPIAWGLXIHCI-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.20
Rot. Bonds5

About 3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide

3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide (PubChem CID 47005544) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide
PubChem CID47005544
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)Nc1cccc(CO)c1
InChIInChI=1S/C16H15ClN2O3/c17-13-5-2-4-12(8-13)16(22)18-9-15(21)19-14-6-1-3-11(7-14)10-20/h1-8,20H,9-10H2,(H,18,22)(H,19,21)
InChIKeyZOEPIAWGLXIHCI-UHFFFAOYSA-N
XLogP2.20
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
3-chloro-N-[2-(3-cyanoanilino)-2-oxoethyl]benzamide
CID 9245643
3-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 26110931
3-chloro-N-[2-oxo-2-[3-(trifluoromethoxy)anilino]ethyl]benzamide
CID 38033870
3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
CID 24537992
3,5-dichloro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629922
3-chloro-N-[2-[[3-(2-methylbutanoylamino)phenyl]methylamino]-2-oxoethyl]benzamide
CID 55868514
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894
3-chloro-N-[2-oxo-2-(4-sulfamoylanilino)ethyl]benzamide
CID 9314380
3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058931
3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294554
3-chloro-N-[2-[4-(methylsulfamoyl)anilino]-2-oxoethyl]benzamide
CID 9219617

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide (CID 47005544) is 3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1cccc(Cl)c1)Nc1cccc(CO)c1.
What is the InChIKey of 3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide?
The InChIKey is ZOEPIAWGLXIHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c17-13-5-2-4-12(8-13)16(22)18-9-15(21)19-14-6-1-3-11(7-14)10-20/h1-8,20H,9-10H2,(H,18,22)(H,19,21).
What are the key properties of 3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide has a molecular weight of 318.76 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[3-(hydroxymethyl)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 47005544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).