N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide

C16H15ClFNO — CID 107233356

IUPACN-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(CCl)cc2)c(F)c1
InChIInChI=1S/C16H15ClFNO/c1-11-2-7-14(15(18)8-11)16(20)19-10-13-5-3-12(9-17)4-6-13/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyRAIRUNLHNISFCN-UHFFFAOYSA-N
MW291.75 g/mol
LogP3.80
Rot. Bonds4

About N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide

N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide (PubChem CID 107233356) has the molecular formula C16H15ClFNO and a molecular weight of 291.75 g/mol. Its IUPAC name is N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide
PubChem CID107233356
Molecular FormulaC16H15ClFNO
Molecular Weight291.75 g/mol
Exact Mass291.08
IUPAC NameN-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(CCl)cc2)c(F)c1
InChIInChI=1S/C16H15ClFNO/c1-11-2-7-14(15(18)8-11)16(20)19-10-13-5-3-12(9-17)4-6-13/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyRAIRUNLHNISFCN-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.75
LogP ≤ 53.80
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-[[4-(chloromethyl)phenyl]methyl]-2,4-dimethylbenzamide
CID 107233380
N-[[4-(chloromethyl)phenyl]methyl]-2,3,4-trifluorobenzamide
CID 107233561
2-fluoro-N-[(3-hydroxyphenyl)methyl]-4-methylbenzamide
CID 79795606
N-(5-chloropentyl)-2-fluoro-4-methylbenzamide
CID 107320953
N-[[4-(chloromethyl)phenyl]methyl]-5-fluoro-2-methylbenzamide
CID 107233293
2-fluoro-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-methylbenzamide
CID 167771405
N-[(2-ethylphenyl)methyl]-2-fluoro-4-methylbenzamide
CID 79791419
N-[(4-chlorophenyl)methyl]-2-hydroxy-4-methylbenzamide
CID 25243582
N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide
CID 34485315
N-(3-chloro-2-methylpropyl)-2-fluoro-4-methylbenzamide
CID 114302822
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
2-[4-(chloromethyl)phenyl]-N-[(4-methylphenyl)methyl]acetamide
CID 59915565

Frequently Asked Questions

What is the IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide?
The IUPAC name of N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide (CID 107233356) is N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccc(CCl)cc2)c(F)c1.
What is the InChIKey of N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide?
The InChIKey is RAIRUNLHNISFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO/c1-11-2-7-14(15(18)8-11)16(20)19-10-13-5-3-12(9-17)4-6-13/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide?
N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide has a molecular weight of 291.75 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 107233356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).