4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide

C12H15ClN2O3 — CID 83031853

IUPAC4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
SMILESC[C@@H](O)CNC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O3/c1-8(16)6-14-11(17)7-15-12(18)9-2-4-10(13)5-3-9/h2-5,8,16H,6-7H2,1H3,(H,14,17)(H,15,18)/t8-/m1/s1
InChIKeyXXQLEGUYLDCRGB-MRVPVSSYSA-N
MW270.72 g/mol
LogP0.57
Rot. Bonds5

About 4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide

4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide (PubChem CID 83031853) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
PubChem CID83031853
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
SMILESC[C@@H](O)CNC(=O)CNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O3/c1-8(16)6-14-11(17)7-15-12(18)9-2-4-10(13)5-3-9/h2-5,8,16H,6-7H2,1H3,(H,14,17)(H,15,18)/t8-/m1/s1
InChIKeyXXQLEGUYLDCRGB-MRVPVSSYSA-N
XLogP0.57
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide
CID 83031754
4-chloro-N-[2-oxo-2-(2-phenylpropylamino)ethyl]benzamide
CID 17400868
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-chlorobenzamide
CID 60634738
4-chloro-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 792434
4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide
CID 40897930
4-chloro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701327
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092
4-chloro-N-[2-(4-methylanilino)-2-oxoethyl]benzamide
CID 2989490
N-(2-bromo-4-methylpentyl)-4-chlorobenzamide
CID 107157900
2-(4-chlorophenyl)sulfanyl-N-(2-hydroxypropyl)acetamide
CID 43391209
4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide
CID 103825506
4-N-[(2S)-2-hydroxypropyl]benzene-1,4-dicarboxamide
CID 83059637

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide (CID 83031853) is 4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide is C[C@@H](O)CNC(=O)CNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide?
The InChIKey is XXQLEGUYLDCRGB-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-8(16)6-14-11(17)7-15-12(18)9-2-4-10(13)5-3-9/h2-5,8,16H,6-7H2,1H3,(H,14,17)(H,15,18)/t8-/m1/s1.
What are the key properties of 4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide?
4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide has a molecular weight of 270.72 g/mol, XLogP of 0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[[(2R)-2-hydroxypropyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 83031853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).