N-(3,4-dichlorophenyl)naphthalene-1-carboxamide

C17H11Cl2NO — CID 835340

IUPACN-(3,4-dichlorophenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C17H11Cl2NO/c18-15-9-8-12(10-16(15)19)20-17(21)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,20,21)
InChIKeySBBVWDKWWMBYJA-UHFFFAOYSA-N
MW316.19 g/mol
LogP5.40
Rot. Bonds2

About N-(3,4-dichlorophenyl)naphthalene-1-carboxamide

N-(3,4-dichlorophenyl)naphthalene-1-carboxamide (PubChem CID 835340) has the molecular formula C17H11Cl2NO and a molecular weight of 316.19 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)naphthalene-1-carboxamide
PubChem CID835340
Molecular FormulaC17H11Cl2NO
Molecular Weight316.19 g/mol
Exact Mass315.02
IUPAC NameN-(3,4-dichlorophenyl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cccc2ccccc12
InChIInChI=1S/C17H11Cl2NO/c18-15-9-8-12(10-16(15)19)20-17(21)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,20,21)
InChIKeySBBVWDKWWMBYJA-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-(3,4-dichlorophenyl)naphthalene-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)naphthalene-1-carboxamide (CID 835340) is N-(3,4-dichlorophenyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)naphthalene-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc2ccccc12.
What is the InChIKey of N-(3,4-dichlorophenyl)naphthalene-1-carboxamide?
The InChIKey is SBBVWDKWWMBYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO/c18-15-9-8-12(10-16(15)19)20-17(21)14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H,20,21).
What are the key properties of N-(3,4-dichlorophenyl)naphthalene-1-carboxamide?
N-(3,4-dichlorophenyl)naphthalene-1-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-(3,4-dichlorophenyl)naphthalene-1-carboxamide is sourced from PubChem (CID 835340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).