N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]naphthalene-2-carboxamide

C32H24N2O3 — CID 4102672

IUPACN-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]naphthalene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C32H24N2O3/c1-21-15-18-29(27(19-21)30(35)23-10-3-2-4-11-23)34-32(37)26-13-7-8-14-28(26)33-31(36)25-17-16-22-9-5-6-12-24(22)20-25/h2-20H,1H3,(H,33,36)(H,34,37)
InChIKeyLLRWMIMLMLHRPJ-UHFFFAOYSA-N
MW484.56 g/mol
LogP6.88
Rot. Bonds6

About N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]naphthalene-2-carboxamide

N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]naphthalene-2-carboxamide (PubChem CID 4102672) has the molecular formula C32H24N2O3 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]naphthalene-2-carboxamide
PubChem CID4102672
Molecular FormulaC32H24N2O3
Molecular Weight484.56 g/mol
Exact Mass484.18
IUPAC NameN-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]naphthalene-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C32H24N2O3/c1-21-15-18-29(27(19-21)30(35)23-10-3-2-4-11-23)34-32(37)26-13-7-8-14-28(26)33-31(36)25-17-16-22-9-5-6-12-24(22)20-25/h2-20H,1H3,(H,33,36)(H,34,37)
InChIKeyLLRWMIMLMLHRPJ-UHFFFAOYSA-N
XLogP6.88
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]naphthalene-2-carboxamide (CID 4102672) is N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]naphthalene-2-carboxamide is Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc3ccccc3c2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]naphthalene-2-carboxamide?
The InChIKey is LLRWMIMLMLHRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O3/c1-21-15-18-29(27(19-21)30(35)23-10-3-2-4-11-23)34-32(37)26-13-7-8-14-28(26)33-31(36)25-17-16-22-9-5-6-12-24(22)20-25/h2-20H,1H3,(H,33,36)(H,34,37).
What are the key properties of N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]naphthalene-2-carboxamide?
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]naphthalene-2-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 6.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 4102672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).