5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide

C16H23ClN2O2 — CID 62359667

IUPAC5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NC1CCCCC1O
InChIInChI=1S/C16H23ClN2O2/c1-2-9-18-13-8-7-11(17)10-12(13)16(21)19-14-5-3-4-6-15(14)20/h7-8,10,14-15,18,20H,2-6,9H2,1H3,(H,19,21)
InChIKeyUAHYFYXXJXLZDC-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.20
Rot. Bonds5

About 5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide

5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide (PubChem CID 62359667) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide
PubChem CID62359667
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide
SMILESCCCNc1ccc(Cl)cc1C(=O)NC1CCCCC1O
InChIInChI=1S/C16H23ClN2O2/c1-2-9-18-13-8-7-11(17)10-12(13)16(21)19-14-5-3-4-6-15(14)20/h7-8,10,14-15,18,20H,2-6,9H2,1H3,(H,19,21)
InChIKeyUAHYFYXXJXLZDC-UHFFFAOYSA-N
XLogP3.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide
CID 62361158
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 104927151
5-chloro-N-(dicyclopropylmethyl)-2-(propylamino)benzamide
CID 62177457
5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide
CID 63500408
5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-methoxybenzamide
CID 94413829
4-chloro-2-hydroxy-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
CID 94413889
N-cyclohexyl-5-methyl-2-(propylamino)benzamide
CID 62509311
5-chloro-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55042381
5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55042884
[5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 62171256
5-amino-N-cyclopropyl-2-(propylamino)benzamide
CID 100638190
5-chloro-2-(propylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 63227613

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide?
The IUPAC name of 5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide (CID 62359667) is 5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide?
The canonical SMILES for 5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide is CCCNc1ccc(Cl)cc1C(=O)NC1CCCCC1O.
What is the InChIKey of 5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide?
The InChIKey is UAHYFYXXJXLZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-2-9-18-13-8-7-11(17)10-12(13)16(21)19-14-5-3-4-6-15(14)20/h7-8,10,14-15,18,20H,2-6,9H2,1H3,(H,19,21).
What are the key properties of 5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide?
5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide has a molecular weight of 310.82 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxycyclohexyl)-2-(propylamino)benzamide is sourced from PubChem (CID 62359667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).