N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide

C15H21ClN2O — CID 106862132

IUPACN-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCCC2N)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-10-7-8-11(12(16)9-10)15(19)18-14-6-4-2-3-5-13(14)17/h7-9,13-14H,2-6,17H2,1H3,(H,18,19)
InChIKeyJUQGFYLSCMSBGU-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.04
Rot. Bonds2

About N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide

N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide (PubChem CID 106862132) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide
PubChem CID106862132
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CCCCCC2N)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-10-7-8-11(12(16)9-10)15(19)18-14-6-4-2-3-5-13(14)17/h7-9,13-14H,2-6,17H2,1H3,(H,18,19)
InChIKeyJUQGFYLSCMSBGU-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

N-(2-aminocyclohexyl)-2,4-dichlorobenzamide
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N-(2-aminocycloheptyl)-3-chloropyridine-4-carboxamide
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N-(2-aminocyclopentyl)-2-chlorobenzamide
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N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzamide
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N-(2-aminocycloheptyl)-5-bromo-2-methylbenzamide
CID 65312155
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
2-chloro-N-cyclopentyloxy-4-methylbenzamide
CID 103581971
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide
CID 106862320
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CID 81323198
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide?
The IUPAC name of N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide (CID 106862132) is N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide?
The canonical SMILES for N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide is Cc1ccc(C(=O)NC2CCCCCC2N)c(Cl)c1.
What is the InChIKey of N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide?
The InChIKey is JUQGFYLSCMSBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10-7-8-11(12(16)9-10)15(19)18-14-6-4-2-3-5-13(14)17/h7-9,13-14H,2-6,17H2,1H3,(H,18,19).
What are the key properties of N-(2-aminocycloheptyl)-2-chloro-4-methylbenzamide?
N-(2-aminocycloheptyl)-2-chloro-4-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)-2-chloro-4-methylbenzamide is sourced from PubChem (CID 106862132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).