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

C16H23ClN2O — CID 102664681

IUPAC3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide
SMILESCC1CCCCCC1NCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C16H23ClN2O/c1-11-5-3-2-4-6-15(11)19-10-13-8-7-12(16(18)20)9-14(13)17/h7-9,11,15,19H,2-6,10H2,1H3,(H2,18,20)
InChIKeyKWBMHACYCWGOIT-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.50
Rot. Bonds4

About 3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide

3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide (PubChem CID 102664681) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide
PubChem CID102664681
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide
SMILESCC1CCCCCC1NCc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C16H23ClN2O/c1-11-5-3-2-4-6-15(11)19-10-13-8-7-12(16(18)20)9-14(13)17/h7-9,11,15,19H,2-6,10H2,1H3,(H2,18,20)
InChIKeyKWBMHACYCWGOIT-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide
CID 102664438
3-chloro-N'-hydroxy-4-[[(2-methylcyclopentyl)amino]methyl]benzenecarboximidamide
CID 102667145
3-chloro-4-[(thian-4-ylamino)methyl]benzamide
CID 102665132
3-[[(2-methylcyclopentyl)amino]methyl]benzamide
CID 63277760
3-chloro-4-[(1-cyclobutylethylamino)methyl]benzamide
CID 102665133
N-[(2-chlorophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43079937
4-fluoro-3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
CID 107452900
3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide
CID 106133041
4-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]-3-methylbenzamide
CID 114503397
4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]-3-chlorobenzamide
CID 103577160
3-[(2-methylcyclohexyl)amino]benzamide
CID 43202841
3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide
CID 102665002

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide?
The IUPAC name of 3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide (CID 102664681) is 3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide?
The canonical SMILES for 3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide is CC1CCCCCC1NCc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide?
The InChIKey is KWBMHACYCWGOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-11-5-3-2-4-6-15(11)19-10-13-8-7-12(16(18)20)9-14(13)17/h7-9,11,15,19H,2-6,10H2,1H3,(H2,18,20).
What are the key properties of 3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide?
3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide has a molecular weight of 294.83 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide is sourced from PubChem (CID 102664681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).