N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide

C15H13ClFNO2 — CID 114299823

IUPACN-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(CCl)cc2)ccc1F
InChIInChI=1S/C15H13ClFNO2/c1-20-14-8-11(4-7-13(14)17)15(19)18-12-5-2-10(9-16)3-6-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyYBRDBRZBJMFYQK-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.83
Rot. Bonds4

About N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide

N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide (PubChem CID 114299823) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide
PubChem CID114299823
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC NameN-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(CCl)cc2)ccc1F
InChIInChI=1S/C15H13ClFNO2/c1-20-14-8-11(4-7-13(14)17)15(19)18-12-5-2-10(9-16)3-6-12/h2-8H,9H2,1H3,(H,18,19)
InChIKeyYBRDBRZBJMFYQK-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(chloromethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 114299769
4-fluoro-N-(4-iodophenyl)-3-methoxybenzamide
CID 80948431
3-bromo-N-[4-(chloromethyl)phenyl]-4-fluorobenzamide
CID 107956665
N-(4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 80968208
N-(4-bromo-3-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 103824600
N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283716
4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzamide
CID 114840048
4-(chloromethyl)-N-[4-[4-[[4-(chloromethyl)benzoyl]amino]-3-methoxyphenyl]phenyl]-3-methoxybenzamide
CID 67252370
4-amino-3-chloro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836867
N-(4-acetylphenyl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 2282296
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide?
The IUPAC name of N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide (CID 114299823) is N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide.
What is the SMILES notation for N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide?
The canonical SMILES for N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc(CCl)cc2)ccc1F.
What is the InChIKey of N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide?
The InChIKey is YBRDBRZBJMFYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-20-14-8-11(4-7-13(14)17)15(19)18-12-5-2-10(9-16)3-6-12/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide?
N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide has a molecular weight of 293.73 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)phenyl]-4-fluoro-3-methoxybenzamide is sourced from PubChem (CID 114299823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).