3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide

C21H23ClN2O3 — CID 139348505

IUPAC3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide
SMILESO=C(Cc1cc(Cl)ccc1O)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C21H23ClN2O3/c22-16-9-10-19(25)15(11-16)13-20(26)23-18-8-4-5-14(12-18)21(27)24-17-6-2-1-3-7-17/h4-5,8-12,17,25H,1-3,6-7,13H2,(H,23,26)(H,24,27)
InChIKeyCYTHUVVGMIQJML-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.29
Rot. Bonds5

About 3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide

3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide (PubChem CID 139348505) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide
PubChem CID139348505
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide
SMILESO=C(Cc1cc(Cl)ccc1O)Nc1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C21H23ClN2O3/c22-16-9-10-19(25)15(11-16)13-20(26)23-18-8-4-5-14(12-18)21(27)24-17-6-2-1-3-7-17/h4-5,8-12,17,25H,1-3,6-7,13H2,(H,23,26)(H,24,27)
InChIKeyCYTHUVVGMIQJML-UHFFFAOYSA-N
XLogP4.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylpyridine-2-carboxamide
CID 139347813
3-[(3-chlorobenzoyl)amino]-N-cyclohexylbenzamide
CID 17170567
3-[[2-(4-aminophenyl)acetyl]amino]-N-cyclohexylbenzamide
CID 54795813
3-(4-chlorobutanoylamino)-N-cyclohexylbenzamide
CID 17170672
N,N'-bis[3-(cyclohexylcarbamoyl)phenyl]decanediamide
CID 17170648
3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831343
N-cyclohexyl-3-[[2-(2,4,5-trichloroanilino)acetyl]amino]benzamide
CID 54816369
4-N-(3-chlorophenyl)-1-N-cycloheptylbenzene-1,4-dicarboxamide
CID 109048558
1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109056113
3-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 26110931
N-cyclohexyl-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]benzamide
CID 17170486
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide?
The IUPAC name of 3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide (CID 139348505) is 3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide.
What is the SMILES notation for 3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide?
The canonical SMILES for 3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide is O=C(Cc1cc(Cl)ccc1O)Nc1cccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide?
The InChIKey is CYTHUVVGMIQJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c22-16-9-10-19(25)15(11-16)13-20(26)23-18-8-4-5-14(12-18)21(27)24-17-6-2-1-3-7-17/h4-5,8-12,17,25H,1-3,6-7,13H2,(H,23,26)(H,24,27).
What are the key properties of 3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide?
3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide has a molecular weight of 386.88 g/mol, XLogP of 4.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-cyclohexylbenzamide is sourced from PubChem (CID 139348505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).