N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide

C19H15ClFNO — CID 18112160

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cccc2ccccc12
InChIInChI=1S/C19H15ClFNO/c1-22(12-16-17(20)10-5-11-18(16)21)19(23)15-9-4-7-13-6-2-3-8-14(13)15/h2-11H,12H2,1H3
InChIKeyKAZFXLSIKQZTIF-UHFFFAOYSA-N
MW327.79 g/mol
LogP4.90
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide (PubChem CID 18112160) has the molecular formula C19H15ClFNO and a molecular weight of 327.79 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
PubChem CID18112160
Molecular FormulaC19H15ClFNO
Molecular Weight327.79 g/mol
Exact Mass327.08
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide
SMILESCN(Cc1c(F)cccc1Cl)C(=O)c1cccc2ccccc12
InChIInChI=1S/C19H15ClFNO/c1-22(12-16-17(20)10-5-11-18(16)21)19(23)15-9-4-7-13-6-2-3-8-14(13)15/h2-11H,12H2,1H3
InChIKeyKAZFXLSIKQZTIF-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.79
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-propan-2-ylquinoline-4-carboxamide
CID 18209165
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 107982395
N-[(2-chloro-6-fluorophenyl)methyl]-2-(methanesulfonamido)-N-methylbenzamide
CID 51162479
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 30278783
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 60628558
N-[(2-chloro-6-fluorophenyl)methyl]-2-(2-methoxyethoxy)-N-methylbenzamide
CID 55997962
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 103753872
N-[(2-chloro-6-fluorophenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115496956
2-chloro-N-[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 31182281
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-[(prop-2-enoylamino)methyl]benzamide
CID 166422224
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1H-indazole-3-carboxamide
CID 18112218
2-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N,5-dimethylbenzamide
CID 62074845

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide (CID 18112160) is N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide is CN(Cc1c(F)cccc1Cl)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide?
The InChIKey is KAZFXLSIKQZTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO/c1-22(12-16-17(20)10-5-11-18(16)21)19(23)15-9-4-7-13-6-2-3-8-14(13)15/h2-11H,12H2,1H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide has a molecular weight of 327.79 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 18112160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).