2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide

C18H26ClN3O2 — CID 119743114

IUPAC2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
SMILESCNCCCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C18H26ClN3O2/c1-20-11-5-8-17(23)21-14-9-10-16(19)15(12-14)18(24)22-13-6-3-2-4-7-13/h9-10,12-13,20H,2-8,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyWSZVZUQDLRSPKP-UHFFFAOYSA-N
MW351.88 g/mol
LogP3.34
Rot. Bonds7

About 2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide

2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide (PubChem CID 119743114) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
PubChem CID119743114
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
SMILESCNCCCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C18H26ClN3O2/c1-20-11-5-8-17(23)21-14-9-10-16(19)15(12-14)18(24)22-13-6-3-2-4-7-13/h9-10,12-13,20H,2-8,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyWSZVZUQDLRSPKP-UHFFFAOYSA-N
XLogP3.34
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-cyclohexyl-5-(hexanoylamino)benzamide
CID 17188521
2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide
CID 60540414
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
N-cyclohexyl-4-[4-(methylamino)butanoylamino]benzamide;hydrochloride
CID 119747154
2-chloro-N-cyclohexyl-5-[[2-[3-(hexanoylamino)anilino]acetyl]amino]benzamide
CID 54841197
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-(heptanoylcarbamothioylamino)benzamide
CID 54789372
2-chloro-N-cyclohexyl-5-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanoylamino]benzamide
CID 55906398
2-chloro-N-cyclohexyl-5-[[2-(4-propan-2-yloxyanilino)acetyl]amino]benzamide
CID 54822256
2-chloro-5-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-N-cyclohexylbenzamide
CID 17188384

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide (CID 119743114) is 2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide is CNCCCC(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide?
The InChIKey is WSZVZUQDLRSPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-20-11-5-8-17(23)21-14-9-10-16(19)15(12-14)18(24)22-13-6-3-2-4-7-13/h9-10,12-13,20H,2-8,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide?
2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide has a molecular weight of 351.88 g/mol, XLogP of 3.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide is sourced from PubChem (CID 119743114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).