2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide

C16H23ClN2O — CID 65079977

IUPAC2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide
SMILESCNC(=O)c1cc(NC2CCCC(C)CC2)ccc1Cl
InChIInChI=1S/C16H23ClN2O/c1-11-4-3-5-12(7-6-11)19-13-8-9-15(17)14(10-13)16(20)18-2/h8-12,19H,3-7H2,1-2H3,(H,18,20)
InChIKeyBGWSTKDFKJNGHM-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.08
Rot. Bonds3

About 2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide

2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide (PubChem CID 65079977) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide
PubChem CID65079977
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide
SMILESCNC(=O)c1cc(NC2CCCC(C)CC2)ccc1Cl
InChIInChI=1S/C16H23ClN2O/c1-11-4-3-5-12(7-6-11)19-13-8-9-15(17)14(10-13)16(20)18-2/h8-12,19H,3-7H2,1-2H3,(H,18,20)
InChIKeyBGWSTKDFKJNGHM-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[(4,4-dimethylcycloheptyl)amino]-N-methylbenzamide
CID 65083154
N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine
CID 65080891
2-chloro-4-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101995
2-amino-5-[(4-methylcycloheptyl)amino]benzamide
CID 114101707
methyl 2-chloro-5-(cyclopentylamino)benzoate
CID 43672677
2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
N-(3,4-difluorophenyl)-4-methylcycloheptan-1-amine
CID 65081163
N-(3-bromo-4-methylphenyl)-4-methylcycloheptan-1-amine
CID 65080494
N-(3,5-dichloro-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 107572556
2-chloro-5-(dicyclopropylmethylamino)-N-methylbenzamide
CID 54864640
N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 104776025
2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid
CID 103561486

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide?
The IUPAC name of 2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide (CID 65079977) is 2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide.
What is the SMILES notation for 2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide?
The canonical SMILES for 2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide is CNC(=O)c1cc(NC2CCCC(C)CC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide?
The InChIKey is BGWSTKDFKJNGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-4-3-5-12(7-6-11)19-13-8-9-15(17)14(10-13)16(20)18-2/h8-12,19H,3-7H2,1-2H3,(H,18,20).
What are the key properties of 2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide?
2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide has a molecular weight of 294.83 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-[(4-methylcycloheptyl)amino]benzamide is sourced from PubChem (CID 65079977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).