3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide

C15H21ClN2O3 — CID 103933438

IUPAC3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(O)C(C)(C)NC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-14(2,15(3,4)21)18-12(19)9-17-13(20)10-6-5-7-11(16)8-10/h5-8,21H,9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyYIUXLKPQBAFAQA-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.74
Rot. Bonds5

About 3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide

3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 103933438) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID103933438
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide
SMILESCC(C)(O)C(C)(C)NC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-14(2,15(3,4)21)18-12(19)9-17-13(20)10-6-5-7-11(16)8-10/h5-8,21H,9H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyYIUXLKPQBAFAQA-UHFFFAOYSA-N
XLogP1.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide
CID 24637788
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide
CID 24634953
(2R)-2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]propanoic acid
CID 54991487
3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide
CID 109380818
3-chloro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981708
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
3-chloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291527
3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
CID 24537992
3-chloro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294554
4-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]butanoic acid
CID 43241156
N-(4-bromo-2,2-dimethylbutyl)-3-chlorobenzamide
CID 106143855

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide (CID 103933438) is 3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide is CC(C)(O)C(C)(C)NC(=O)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is YIUXLKPQBAFAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-14(2,15(3,4)21)18-12(19)9-17-13(20)10-6-5-7-11(16)8-10/h5-8,21H,9H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 312.80 g/mol, XLogP of 1.74, 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-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 103933438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).