N-(4-amino-2,6-dichlorophenyl)naphthalene-2-carboxamide

C17H12Cl2N2O — CID 16775537

IUPACN-(4-amino-2,6-dichlorophenyl)naphthalene-2-carboxamide
SMILESNc1cc(Cl)c(NC(=O)c2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C17H12Cl2N2O/c18-14-8-13(20)9-15(19)16(14)21-17(22)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,20H2,(H,21,22)
InChIKeyNGXLVGRSLKMPRV-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.98
Rot. Bonds2

About N-(4-amino-2,6-dichlorophenyl)naphthalene-2-carboxamide

N-(4-amino-2,6-dichlorophenyl)naphthalene-2-carboxamide (PubChem CID 16775537) has the molecular formula C17H12Cl2N2O and a molecular weight of 331.20 g/mol. Its IUPAC name is N-(4-amino-2,6-dichlorophenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dichlorophenyl)naphthalene-2-carboxamide
PubChem CID16775537
Molecular FormulaC17H12Cl2N2O
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC NameN-(4-amino-2,6-dichlorophenyl)naphthalene-2-carboxamide
SMILESNc1cc(Cl)c(NC(=O)c2ccc3ccccc3c2)c(Cl)c1
InChIInChI=1S/C17H12Cl2N2O/c18-14-8-13(20)9-15(19)16(14)21-17(22)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,20H2,(H,21,22)
InChIKeyNGXLVGRSLKMPRV-UHFFFAOYSA-N
XLogP4.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,6-dichlorophenyl)naphthalene-2-carboxamide
CID 16776490
4-amino-N-(4-amino-2,6-dichlorophenyl)benzamide
CID 20565335
N-(4-amino-2,6-dichlorophenyl)-4-methoxybenzamide
CID 16774813
N-(2-chloro-4,6-dimethylphenyl)naphthalene-2-carboxamide
CID 7749916
N-(4-amino-2,6-dichlorophenyl)-3-fluorobenzamide
CID 16776319
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide
CID 16773401
N-(2-chloro-4-nitrophenyl)naphthalene-2-carboxamide
CID 21212432
N-[3-[(3-chlorobenzoyl)amino]phenyl]naphthalene-2-carboxamide
CID 1366118
ethane;naphthalene-2-carbohydrazide
CID 91601372
N-(2-acetamidophenyl)naphthalene-2-carboxamide
CID 787693
3-amino-4-fluoro-N-(2,4,6-trichlorophenyl)benzamide
CID 43436994

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dichlorophenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(4-amino-2,6-dichlorophenyl)naphthalene-2-carboxamide (CID 16775537) is N-(4-amino-2,6-dichlorophenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(4-amino-2,6-dichlorophenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(4-amino-2,6-dichlorophenyl)naphthalene-2-carboxamide is Nc1cc(Cl)c(NC(=O)c2ccc3ccccc3c2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2,6-dichlorophenyl)naphthalene-2-carboxamide?
The InChIKey is NGXLVGRSLKMPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O/c18-14-8-13(20)9-15(19)16(14)21-17(22)12-6-5-10-3-1-2-4-11(10)7-12/h1-9H,20H2,(H,21,22).
What are the key properties of N-(4-amino-2,6-dichlorophenyl)naphthalene-2-carboxamide?
N-(4-amino-2,6-dichlorophenyl)naphthalene-2-carboxamide has a molecular weight of 331.20 g/mol, XLogP of 4.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dichlorophenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 16775537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).