5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide

C17H25ClN2O — CID 63500607

IUPAC5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCC1CCCCC1C
InChIInChI=1S/C17H25ClN2O/c1-3-19-16-9-8-14(18)10-15(16)17(21)20-11-13-7-5-4-6-12(13)2/h8-10,12-13,19H,3-7,11H2,1-2H3,(H,20,21)
InChIKeyWTSIYWKKZKDOCQ-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.33
Rot. Bonds5

About 5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide

5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide (PubChem CID 63500607) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide
PubChem CID63500607
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCC1CCCCC1C
InChIInChI=1S/C17H25ClN2O/c1-3-19-16-9-8-14(18)10-15(16)17(21)20-11-13-7-5-4-6-12(13)2/h8-10,12-13,19H,3-7,11H2,1-2H3,(H,20,21)
InChIKeyWTSIYWKKZKDOCQ-UHFFFAOYSA-N
XLogP4.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(cyclohexylmethyl)-2-(ethylamino)benzamide
CID 63500418
5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
2-amino-5-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 55013606
5-chloro-N-(2,3-dimethylcyclohexyl)-2-(ethylamino)benzamide
CID 63500408
5-chloro-2-(ethylamino)-N-(thiolan-3-ylmethyl)benzamide
CID 107298119
5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide
CID 62978216
5-chloro-N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)benzamide
CID 103529934
2-fluoro-5-methyl-N-[(2-methylcyclohexyl)methyl]benzamide
CID 62512195
4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 54983100
2-(ethylamino)-3-fluoro-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107420575
2-chloro-5-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418935
5-(ethylamino)-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 104640456

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide (CID 63500607) is 5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide is CCNc1ccc(Cl)cc1C(=O)NCC1CCCCC1C.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide?
The InChIKey is WTSIYWKKZKDOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-3-19-16-9-8-14(18)10-15(16)17(21)20-11-13-7-5-4-6-12(13)2/h8-10,12-13,19H,3-7,11H2,1-2H3,(H,20,21).
What are the key properties of 5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide?
5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide has a molecular weight of 308.85 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-[(2-methylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 63500607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).