2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide

C19H27ClN2O2 — CID 17188521

IUPAC2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide
SMILESCCCCCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H27ClN2O2/c1-2-3-5-10-18(23)21-15-11-12-17(20)16(13-15)19(24)22-14-8-6-4-7-9-14/h11-14H,2-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyBZMPDCIAAGAXFH-UHFFFAOYSA-N
MW350.89 g/mol
LogP4.92
Rot. Bonds7

About 2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide

2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide (PubChem CID 17188521) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide
PubChem CID17188521
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide
SMILESCCCCCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C19H27ClN2O2/c1-2-3-5-10-18(23)21-15-11-12-17(20)16(13-15)19(24)22-14-8-6-4-7-9-14/h11-14H,2-10H2,1H3,(H,21,23)(H,22,24)
InChIKeyBZMPDCIAAGAXFH-UHFFFAOYSA-N
XLogP4.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-cyclohexyl-5-[[2-[3-(hexanoylamino)anilino]acetyl]amino]benzamide
CID 54841197
2-chloro-N-cyclohexyl-5-(heptanoylcarbamothioylamino)benzamide
CID 54789372
2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
CID 119743114
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide
CID 60540414
2-chloro-N-cyclohexyl-5-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820691
5-[[2-(2-butoxyanilino)acetyl]amino]-2-chloro-N-cyclohexylbenzamide
CID 54828074
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 54818353
2-chloro-N-cyclohexyl-5-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54815159
2-chloro-N-cyclohexyl-5-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54833099
2-chloro-N-cyclohexyl-5-[[2-[3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54833292

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide (CID 17188521) is 2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide is CCCCCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide?
The InChIKey is BZMPDCIAAGAXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-2-3-5-10-18(23)21-15-11-12-17(20)16(13-15)19(24)22-14-8-6-4-7-9-14/h11-14H,2-10H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide?
2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide has a molecular weight of 350.89 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide is sourced from PubChem (CID 17188521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).