N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide

C15H21ClN2O — CID 107098127

IUPACN-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NC1CCCCCC1N
InChIInChI=1S/C15H21ClN2O/c1-10-11(6-5-7-12(10)16)15(19)18-14-9-4-2-3-8-13(14)17/h5-7,13-14H,2-4,8-9,17H2,1H3,(H,18,19)
InChIKeyDSUVAIBIDHMGAZ-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.04
Rot. Bonds2

About N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide

N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide (PubChem CID 107098127) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide
PubChem CID107098127
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NC1CCCCCC1N
InChIInChI=1S/C15H21ClN2O/c1-10-11(6-5-7-12(10)16)15(19)18-14-9-4-2-3-8-13(14)17/h5-7,13-14H,2-4,8-9,17H2,1H3,(H,18,19)
InChIKeyDSUVAIBIDHMGAZ-UHFFFAOYSA-N
XLogP3.04
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide?
The IUPAC name of N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide (CID 107098127) is N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide?
The canonical SMILES for N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)NC1CCCCCC1N.
What is the InChIKey of N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide?
The InChIKey is DSUVAIBIDHMGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10-11(6-5-7-12(10)16)15(19)18-14-9-4-2-3-8-13(14)17/h5-7,13-14H,2-4,8-9,17H2,1H3,(H,18,19).
What are the key properties of N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide?
N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide has a molecular weight of 280.80 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide is sourced from PubChem (CID 107098127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).