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

C17H17ClN2O3 — CID 9300768

IUPAC2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1cccc(CO)c1
InChIInChI=1S/C17H17ClN2O3/c18-15-7-2-1-6-14(15)17(23)19-9-8-16(22)20-13-5-3-4-12(10-13)11-21/h1-7,10,21H,8-9,11H2,(H,19,23)(H,20,22)
InChIKeyUGNISGIBTFUHRF-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.59
Rot. Bonds6

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

2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide (PubChem CID 9300768) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide
PubChem CID9300768
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)Nc1cccc(CO)c1
InChIInChI=1S/C17H17ClN2O3/c18-15-7-2-1-6-14(15)17(23)19-9-8-16(22)20-13-5-3-4-12(10-13)11-21/h1-7,10,21H,8-9,11H2,(H,19,23)(H,20,22)
InChIKeyUGNISGIBTFUHRF-UHFFFAOYSA-N
XLogP2.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide
CID 7962908
N-[2-[[3-(butanoylamino)phenyl]methylamino]-2-oxoethyl]-2-chlorobenzamide
CID 51120300
3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide
CID 51891452
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
N-[3-(butanoylamino)phenyl]-2-chlorobenzamide
CID 17187534
3-(tert-butylamino)-N-[3-(hydroxymethyl)phenyl]propanamide
CID 54927415
N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide
CID 62197477
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
N-[3-[3-(diethylaminomethyl)anilino]-3-oxopropyl]-2-methoxybenzamide
CID 46449017
N-[3-[3-[[acetyl(ethyl)amino]methyl]anilino]-3-oxopropyl]-2-methylbenzamide
CID 34333863
N-[3-(3-ethynylanilino)-3-oxopropyl]-2-methylbenzamide
CID 46529788
1-[[3-[3-[(2-chloro-4-fluorobenzoyl)amino]propanoylamino]phenyl]methyl]piperidine-4-carboxamide
CID 55801497

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide (CID 9300768) is 2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)Nc1cccc(CO)c1.
What is the InChIKey of 2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide?
The InChIKey is UGNISGIBTFUHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-15-7-2-1-6-14(15)17(23)19-9-8-16(22)20-13-5-3-4-12(10-13)11-21/h1-7,10,21H,8-9,11H2,(H,19,23)(H,20,22).
What are the key properties of 2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide has a molecular weight of 332.79 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 9300768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).