N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)naphthalene-1-carboxamide

C25H26ClNO2 — CID 25110775

IUPACN-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)naphthalene-1-carboxamide
SMILESO=C(c1cccc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCC(O)CC1
InChIInChI=1S/C25H26ClNO2/c26-20-10-8-18(9-11-20)16-17-27(21-12-14-22(28)15-13-21)25(29)24-7-3-5-19-4-1-2-6-23(19)24/h1-11,21-22,28H,12-17H2
InChIKeySFLKPYFQQSLPMF-UHFFFAOYSA-N
MW407.94 g/mol
LogP5.48
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)naphthalene-1-carboxamide

N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)naphthalene-1-carboxamide (PubChem CID 25110775) has the molecular formula C25H26ClNO2 and a molecular weight of 407.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)naphthalene-1-carboxamide
PubChem CID25110775
Molecular FormulaC25H26ClNO2
Molecular Weight407.94 g/mol
Exact Mass407.17
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)naphthalene-1-carboxamide
SMILESO=C(c1cccc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCC(O)CC1
InChIInChI=1S/C25H26ClNO2/c26-20-10-8-18(9-11-20)16-17-27(21-12-14-22(28)15-13-21)25(29)24-7-3-5-19-4-1-2-6-23(19)24/h1-11,21-22,28H,12-17H2
InChIKeySFLKPYFQQSLPMF-UHFFFAOYSA-N
XLogP5.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.94
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)naphthalene-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)naphthalene-1-carboxamide (CID 25110775) is N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)naphthalene-1-carboxamide is O=C(c1cccc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCC(O)CC1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)naphthalene-1-carboxamide?
The InChIKey is SFLKPYFQQSLPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClNO2/c26-20-10-8-18(9-11-20)16-17-27(21-12-14-22(28)15-13-21)25(29)24-7-3-5-19-4-1-2-6-23(19)24/h1-11,21-22,28H,12-17H2.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)naphthalene-1-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)naphthalene-1-carboxamide has a molecular weight of 407.94 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-N-(4-hydroxycyclohexyl)naphthalene-1-carboxamide is sourced from PubChem (CID 25110775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).