2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide

C16H22ClNO2 — CID 106509758

IUPAC2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(O)CCCCCC2)c(Cl)c1
InChIInChI=1S/C16H22ClNO2/c1-12-6-7-13(14(17)10-12)15(19)18-11-16(20)8-4-2-3-5-9-16/h6-7,10,20H,2-5,8-9,11H2,1H3,(H,18,19)
InChIKeyKAJSJHOTDMBJOB-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.46
Rot. Bonds3

About 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide

2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide (PubChem CID 106509758) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
PubChem CID106509758
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(O)CCCCCC2)c(Cl)c1
InChIInChI=1S/C16H22ClNO2/c1-12-6-7-13(14(17)10-12)15(19)18-11-16(20)8-4-2-3-5-9-16/h6-7,10,20H,2-5,8-9,11H2,1H3,(H,18,19)
InChIKeyKAJSJHOTDMBJOB-UHFFFAOYSA-N
XLogP3.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 65103472
N-[(1-hydroxycyclobutyl)methyl]-2,4-dimethylbenzamide
CID 111445481
2-bromo-N-[(1-hydroxycycloheptyl)methyl]-5-methylbenzamide
CID 81003216
2-amino-N-[(1-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 65106081
3-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 66483576
3-chloro-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 107097792
5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123464
4-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103863824
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 103863815
2,4-dibromo-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 103883040
N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 64868051
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide (CID 106509758) is 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC2(O)CCCCCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide?
The InChIKey is KAJSJHOTDMBJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-12-6-7-13(14(17)10-12)15(19)18-11-16(20)8-4-2-3-5-9-16/h6-7,10,20H,2-5,8-9,11H2,1H3,(H,18,19).
What are the key properties of 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide?
2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide has a molecular weight of 295.81 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 106509758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).