N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide

C15H13ClFNO2 — CID 110783290

IUPACN-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C15H13ClFNO2/c1-20-13-7-4-11(14(16)8-13)9-18-15(19)10-2-5-12(17)6-3-10/h2-8H,9H2,1H3,(H,18,19)
InChIKeyWBQIVFMXKSMHPA-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.42
Rot. Bonds4

About N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide

N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide (PubChem CID 110783290) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide
PubChem CID110783290
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC NameN-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(F)cc2)c(Cl)c1
InChIInChI=1S/C15H13ClFNO2/c1-20-13-7-4-11(14(16)8-13)9-18-15(19)10-2-5-12(17)6-3-10/h2-8H,9H2,1H3,(H,18,19)
InChIKeyWBQIVFMXKSMHPA-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-[(2-chloro-4-methoxyphenyl)methyl]urea
CID 115192660
N-[(2-chloro-4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 115167187
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[(2-chloro-4-methoxyphenyl)methyl]azetidine-3-carboxamide
CID 115158872
N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110782194
4-acetamido-N-[2-(2-chloro-4-methoxyphenyl)ethyl]benzamide
CID 110795800
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-4-methylbenzamide
CID 163867885
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
N-[(2,4-dimethylphenyl)methyl]-4-methoxybenzamide
CID 3289325

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide?
The IUPAC name of N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide (CID 110783290) is N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide?
The canonical SMILES for N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide is COc1ccc(CNC(=O)c2ccc(F)cc2)c(Cl)c1.
What is the InChIKey of N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide?
The InChIKey is WBQIVFMXKSMHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-20-13-7-4-11(14(16)8-13)9-18-15(19)10-2-5-12(17)6-3-10/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide?
N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide has a molecular weight of 293.73 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methoxyphenyl)methyl]-4-fluorobenzamide is sourced from PubChem (CID 110783290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).