2,4-dichloro-5-fluoro-N-methyl-N-(naphthalen-2-ylmethyl)benzamide

C19H14Cl2FNO — CID 18288270

IUPAC2,4-dichloro-5-fluoro-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2FNO/c1-23(19(24)15-9-18(22)17(21)10-16(15)20)11-12-6-7-13-4-2-3-5-14(13)8-12/h2-10H,11H2,1H3
InChIKeyFDIKRCJTVAETLL-UHFFFAOYSA-N
MW362.23 g/mol
LogP5.56
Rot. Bonds3

About 2,4-dichloro-5-fluoro-N-methyl-N-(naphthalen-2-ylmethyl)benzamide

2,4-dichloro-5-fluoro-N-methyl-N-(naphthalen-2-ylmethyl)benzamide (PubChem CID 18288270) has the molecular formula C19H14Cl2FNO and a molecular weight of 362.23 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N-methyl-N-(naphthalen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
PubChem CID18288270
Molecular FormulaC19H14Cl2FNO
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name2,4-dichloro-5-fluoro-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
SMILESCN(Cc1ccc2ccccc2c1)C(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C19H14Cl2FNO/c1-23(19(24)15-9-18(22)17(21)10-16(15)20)11-12-6-7-13-4-2-3-5-14(13)8-12/h2-10H,11H2,1H3
InChIKeyFDIKRCJTVAETLL-UHFFFAOYSA-N
XLogP5.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.23
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[(2,4-dichloro-5-fluorobenzoyl)-methylamino]methyl]benzoate
CID 37415657
2,4-dichloro-5-fluoro-N-methyl-N-[(3-nitrophenyl)methyl]benzamide
CID 46404947
N-(1,3-benzothiazol-2-ylmethyl)-2,4-dichloro-5-fluoro-N-methylbenzamide
CID 41440557
5-bromo-2-hydroxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 43016464
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
N-[(4-fluorophenyl)methyl]-N-methyl-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 27073013
N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 18115026
N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 118740695
2,4-dimethoxy-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 18115021
N-[(3,4-dichlorophenyl)methyl]-N,2-dimethylbenzamide
CID 112792499
4-(dimethylamino)-N-methyl-N-(naphthalen-2-ylmethyl)benzamide
CID 27848229
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60631214

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N-methyl-N-(naphthalen-2-ylmethyl)benzamide?
The IUPAC name of 2,4-dichloro-5-fluoro-N-methyl-N-(naphthalen-2-ylmethyl)benzamide (CID 18288270) is 2,4-dichloro-5-fluoro-N-methyl-N-(naphthalen-2-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N-methyl-N-(naphthalen-2-ylmethyl)benzamide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N-methyl-N-(naphthalen-2-ylmethyl)benzamide is CN(Cc1ccc2ccccc2c1)C(=O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-fluoro-N-methyl-N-(naphthalen-2-ylmethyl)benzamide?
The InChIKey is FDIKRCJTVAETLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2FNO/c1-23(19(24)15-9-18(22)17(21)10-16(15)20)11-12-6-7-13-4-2-3-5-14(13)8-12/h2-10H,11H2,1H3.
What are the key properties of 2,4-dichloro-5-fluoro-N-methyl-N-(naphthalen-2-ylmethyl)benzamide?
2,4-dichloro-5-fluoro-N-methyl-N-(naphthalen-2-ylmethyl)benzamide has a molecular weight of 362.23 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N-methyl-N-(naphthalen-2-ylmethyl)benzamide is sourced from PubChem (CID 18288270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).