3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide

C17H25ClN2O3 — CID 109380818

IUPAC3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O3/c1-11(2)15(22)17(3,4)10-20-14(21)9-19-16(23)12-6-5-7-13(18)8-12/h5-8,11,15,22H,9-10H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyCBMBEIZEZPADIM-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.23
Rot. Bonds7

About 3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide

3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide (PubChem CID 109380818) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide
PubChem CID109380818
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O3/c1-11(2)15(22)17(3,4)10-20-14(21)9-19-16(23)12-6-5-7-13(18)8-12/h5-8,11,15,22H,9-10H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyCBMBEIZEZPADIM-UHFFFAOYSA-N
XLogP2.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.23
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
N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]thiophene-3-carboxamide
CID 109389253
(2R)-2-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]propanoic acid
CID 54991487
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide
CID 109381094
3-chloro-N-[2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-2-oxoethyl]benzamide
CID 103933438
[(1R)-1-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-3-methylbutyl]boronic acid
CID 25183871
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
2-(3-chloro-N-methylsulfonylanilino)-N-[(3S)-3-hydroxy-2,2,4-trimethylpentyl]acetamide
CID 97078191
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]-3-chlorobenzamide
CID 24634953
3-chloro-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]benzamide
CID 24537992
3-chloro-N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]-2-oxoethyl]benzamide
CID 104981708
N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 109389252

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide (CID 109380818) is 3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide is CC(C)C(O)C(C)(C)CNC(=O)CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide?
The InChIKey is CBMBEIZEZPADIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-11(2)15(22)17(3,4)10-20-14(21)9-19-16(23)12-6-5-7-13(18)8-12/h5-8,11,15,22H,9-10H2,1-4H3,(H,19,23)(H,20,21).
What are the key properties of 3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide has a molecular weight of 340.85 g/mol, XLogP of 2.23, 7 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-2,2,4-trimethylpentyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 109380818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).