N-[4-(anilinomethyl)cyclohexyl]-3-chlorobenzamide

C20H23ClN2O — CID 44814766

IUPACN-[4-(anilinomethyl)cyclohexyl]-3-chlorobenzamide
SMILESO=C(NC1CCC(CNc2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O/c21-17-6-4-5-16(13-17)20(24)23-19-11-9-15(10-12-19)14-22-18-7-2-1-3-8-18/h1-8,13,15,19,22H,9-12,14H2,(H,23,24)
InChIKeyBMHDAOMNPMWTER-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.74
Rot. Bonds5

About N-[4-(anilinomethyl)cyclohexyl]-3-chlorobenzamide

N-[4-(anilinomethyl)cyclohexyl]-3-chlorobenzamide (PubChem CID 44814766) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[4-(anilinomethyl)cyclohexyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[4-(anilinomethyl)cyclohexyl]-3-chlorobenzamide
PubChem CID44814766
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN-[4-(anilinomethyl)cyclohexyl]-3-chlorobenzamide
SMILESO=C(NC1CCC(CNc2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H23ClN2O/c21-17-6-4-5-16(13-17)20(24)23-19-11-9-15(10-12-19)14-22-18-7-2-1-3-8-18/h1-8,13,15,19,22H,9-12,14H2,(H,23,24)
InChIKeyBMHDAOMNPMWTER-UHFFFAOYSA-N
XLogP4.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(anilinomethyl)cyclohexyl]-3-chlorobenzamide?
The IUPAC name of N-[4-(anilinomethyl)cyclohexyl]-3-chlorobenzamide (CID 44814766) is N-[4-(anilinomethyl)cyclohexyl]-3-chlorobenzamide.
What is the SMILES notation for N-[4-(anilinomethyl)cyclohexyl]-3-chlorobenzamide?
The canonical SMILES for N-[4-(anilinomethyl)cyclohexyl]-3-chlorobenzamide is O=C(NC1CCC(CNc2ccccc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[4-(anilinomethyl)cyclohexyl]-3-chlorobenzamide?
The InChIKey is BMHDAOMNPMWTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c21-17-6-4-5-16(13-17)20(24)23-19-11-9-15(10-12-19)14-22-18-7-2-1-3-8-18/h1-8,13,15,19,22H,9-12,14H2,(H,23,24).
What are the key properties of N-[4-(anilinomethyl)cyclohexyl]-3-chlorobenzamide?
N-[4-(anilinomethyl)cyclohexyl]-3-chlorobenzamide has a molecular weight of 342.87 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(anilinomethyl)cyclohexyl]-3-chlorobenzamide is sourced from PubChem (CID 44814766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).