N-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide

C18H14ClNO — CID 114298463

IUPACN-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1CCl)c1ccc2ccccc2c1
InChIInChI=1S/C18H14ClNO/c19-12-16-7-3-4-8-17(16)20-18(21)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,20,21)
InChIKeyFKVOHZVDRQYZSW-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.83
Rot. Bonds3

About N-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide

N-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide (PubChem CID 114298463) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is N-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide
PubChem CID114298463
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC NameN-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccccc1CCl)c1ccc2ccccc2c1
InChIInChI=1S/C18H14ClNO/c19-12-16-7-3-4-8-17(16)20-18(21)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,20,21)
InChIKeyFKVOHZVDRQYZSW-UHFFFAOYSA-N
XLogP4.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidophenyl)naphthalene-2-carboxamide
CID 787693
N-[2-(chloromethyl)phenyl]-3-methylbenzamide
CID 113271945
4-tert-butyl-N-[2-(chloromethyl)phenyl]benzamide
CID 114298246
N-[2-(chloromethyl)phenyl]-3,5-dimethylbenzamide
CID 114298542
N-[2-(chloromethyl)phenyl]-3,5-dimethoxybenzamide
CID 114298485
N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
N-(2-sulfanylphenyl)naphthalene-2-carboxamide
CID 23961098
N-[2-(chloromethyl)phenyl]-3-(difluoromethoxy)benzamide
CID 114298284
N-[2-(2-ethylanilino)-2-oxoethyl]naphthalene-2-carboxamide
CID 8699030
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
N-[2-(chloromethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 114298249

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide (CID 114298463) is N-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide is O=C(Nc1ccccc1CCl)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is FKVOHZVDRQYZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c19-12-16-7-3-4-8-17(16)20-18(21)15-10-9-13-5-1-2-6-14(13)11-15/h1-11H,12H2,(H,20,21).
What are the key properties of N-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide?
N-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 295.77 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 114298463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).