N-(2,4-dichlorophenyl)naphthalene-2-carboxamide

C17H11Cl2NO — CID 1101328

IUPACN-(2,4-dichlorophenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C17H11Cl2NO/c18-14-7-8-16(15(19)10-14)20-17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,20,21)
InChIKeyWZYJDNGSKRVUPE-UHFFFAOYSA-N
MW316.19 g/mol
LogP5.40
Rot. Bonds2

About N-(2,4-dichlorophenyl)naphthalene-2-carboxamide

N-(2,4-dichlorophenyl)naphthalene-2-carboxamide (PubChem CID 1101328) has the molecular formula C17H11Cl2NO and a molecular weight of 316.19 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)naphthalene-2-carboxamide
PubChem CID1101328
Molecular FormulaC17H11Cl2NO
Molecular Weight316.19 g/mol
Exact Mass315.02
IUPAC NameN-(2,4-dichlorophenyl)naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1
InChIInChI=1S/C17H11Cl2NO/c18-14-7-8-16(15(19)10-14)20-17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,20,21)
InChIKeyWZYJDNGSKRVUPE-UHFFFAOYSA-N
XLogP5.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.19
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)naphthalene-2-carboxamide (CID 1101328) is N-(2,4-dichlorophenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)naphthalene-2-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1.
What is the InChIKey of N-(2,4-dichlorophenyl)naphthalene-2-carboxamide?
The InChIKey is WZYJDNGSKRVUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO/c18-14-7-8-16(15(19)10-14)20-17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,20,21).
What are the key properties of N-(2,4-dichlorophenyl)naphthalene-2-carboxamide?
N-(2,4-dichlorophenyl)naphthalene-2-carboxamide has a molecular weight of 316.19 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 1101328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).