3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide

C15H20ClNO2 — CID 43409239

IUPAC3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1ccc(O)c(Cl)c1)C1CCCCCC1
InChIInChI=1S/C15H20ClNO2/c1-17(12-6-4-2-3-5-7-12)15(19)11-8-9-14(18)13(16)10-11/h8-10,12,18H,2-7H2,1H3
InChIKeyPCPNLCOLYOQGPP-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.84
Rot. Bonds2

About 3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide

3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide (PubChem CID 43409239) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide
PubChem CID43409239
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1ccc(O)c(Cl)c1)C1CCCCCC1
InChIInChI=1S/C15H20ClNO2/c1-17(12-6-4-2-3-5-7-12)15(19)11-8-9-14(18)13(16)10-11/h8-10,12,18H,2-7H2,1H3
InChIKeyPCPNLCOLYOQGPP-UHFFFAOYSA-N
XLogP3.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-cycloheptyl-4-iodo-N-methylbenzamide
CID 103221242
3-chloro-4-hydroxy-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110979
3-chloro-4-hydroxy-N-methyl-N-piperidin-3-ylbenzamide
CID 63644238
3-chloro-N-cyclobutyl-4-iodo-N-methylbenzamide
CID 103737051
N-cyclohexyl-4-hydroxy-N-methylbenzamide
CID 43176625
2-[(3-chloro-4-hydroxybenzoyl)-cyclopentylamino]acetic acid
CID 60826765
2,6-dichloro-N-cyclohexyl-N-methylpyridine-4-carboxamide
CID 43235774
3-amino-4,5-dichloro-N-cycloheptyl-N-methylbenzamide
CID 61101939
4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 27670624
N-cyclopentyl-3-hydroxy-N-methylbenzamide
CID 43243153
N-cyclohexyl-4-fluoro-N-methyl-3-sulfanylbenzamide
CID 107020889
N-cyclohexyl-4-iodo-N-methylbenzamide
CID 30383969

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide?
The IUPAC name of 3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide (CID 43409239) is 3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide is CN(C(=O)c1ccc(O)c(Cl)c1)C1CCCCCC1.
What is the InChIKey of 3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide?
The InChIKey is PCPNLCOLYOQGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-17(12-6-4-2-3-5-7-12)15(19)11-8-9-14(18)13(16)10-11/h8-10,12,18H,2-7H2,1H3.
What are the key properties of 3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide?
3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide has a molecular weight of 281.78 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cycloheptyl-4-hydroxy-N-methylbenzamide is sourced from PubChem (CID 43409239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).