N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide

C25H25ClN2O2 — CID 11611505

IUPACN-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc(Cl)ccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C25H25ClN2O2/c26-19-13-14-23(22(15-19)24(29)27-16-17-7-2-1-3-8-17)28-25(30)21-12-6-10-18-9-4-5-11-20(18)21/h4-6,9-15,17H,1-3,7-8,16H2,(H,27,29)(H,28,30)
InChIKeyPAGJVMXPAPTXRG-UHFFFAOYSA-N
MW420.94 g/mol
LogP6.06
Rot. Bonds5

About N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide

N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide (PubChem CID 11611505) has the molecular formula C25H25ClN2O2 and a molecular weight of 420.94 g/mol. Its IUPAC name is N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide
PubChem CID11611505
Molecular FormulaC25H25ClN2O2
Molecular Weight420.94 g/mol
Exact Mass420.16
IUPAC NameN-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc(Cl)ccc1NC(=O)c1cccc2ccccc12
InChIInChI=1S/C25H25ClN2O2/c26-19-13-14-23(22(15-19)24(29)27-16-17-7-2-1-3-8-17)28-25(30)21-12-6-10-18-9-4-5-11-20(18)21/h4-6,9-15,17H,1-3,7-8,16H2,(H,27,29)(H,28,30)
InChIKeyPAGJVMXPAPTXRG-UHFFFAOYSA-N
XLogP6.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.94
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide (CID 11611505) is N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide is O=C(NCC1CCCCC1)c1cc(Cl)ccc1NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is PAGJVMXPAPTXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O2/c26-19-13-14-23(22(15-19)24(29)27-16-17-7-2-1-3-8-17)28-25(30)21-12-6-10-18-9-4-5-11-20(18)21/h4-6,9-15,17H,1-3,7-8,16H2,(H,27,29)(H,28,30).
What are the key properties of N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 420.94 g/mol, XLogP of 6.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 11611505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).