5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide

C17H25ClN2O — CID 63499195

IUPAC5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide
SMILESCCC(NC(=O)c1cc(Cl)ccc1NC)C1CCCCC1
InChIInChI=1S/C17H25ClN2O/c1-3-15(12-7-5-4-6-8-12)20-17(21)14-11-13(18)9-10-16(14)19-2/h9-12,15,19H,3-8H2,1-2H3,(H,20,21)
InChIKeyBDMXROWNKKHRFV-UHFFFAOYSA-N
MW308.85 g/mol
LogP4.47
Rot. Bonds5

About 5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide

5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide (PubChem CID 63499195) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is 5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide
PubChem CID63499195
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide
SMILESCCC(NC(=O)c1cc(Cl)ccc1NC)C1CCCCC1
InChIInChI=1S/C17H25ClN2O/c1-3-15(12-7-5-4-6-8-12)20-17(21)14-11-13(18)9-10-16(14)19-2/h9-12,15,19H,3-8H2,1-2H3,(H,20,21)
InChIKeyBDMXROWNKKHRFV-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclohexylpropyl)-2-hydrazinyl-5-methylbenzamide
CID 62512835
5-chloro-N-cyclopropyl-2-(methylamino)benzamide
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N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide
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N-(1-cyclohexylpropyl)-3,4,5-trifluorobenzamide
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N-(1-cyclohexylpropyl)-2-sulfanylbenzamide
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5-chloro-N-[1-cyclohexyl-3-oxo-4-(1,3-thiazol-2-yl)butan-2-yl]-2-(methylamino)benzamide
CID 123270559
N-(2-amino-1-cyclopentylethyl)-5-chloro-2-hydroxybenzamide
CID 106737723
N-(1-cyclohexylpropyl)-2-hydroxy-4-methylbenzamide
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N-(1-cyclohexylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 62407614
N-(1-cyclohexylpropyl)-5-(methylamino)pyridine-2-carboxamide
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CID 105381145

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide?
The IUPAC name of 5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide (CID 63499195) is 5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide?
The canonical SMILES for 5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide is CCC(NC(=O)c1cc(Cl)ccc1NC)C1CCCCC1.
What is the InChIKey of 5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide?
The InChIKey is BDMXROWNKKHRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-3-15(12-7-5-4-6-8-12)20-17(21)14-11-13(18)9-10-16(14)19-2/h9-12,15,19H,3-8H2,1-2H3,(H,20,21).
What are the key properties of 5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide?
5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide has a molecular weight of 308.85 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyclohexylpropyl)-2-(methylamino)benzamide is sourced from PubChem (CID 63499195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).