2,4-dichloro-N-[3-chloro-2-(methoxymethyl)phenyl]-5-fluorobenzamide

C15H11Cl3FNO2 — CID 71919092

IUPAC2,4-dichloro-N-[3-chloro-2-(methoxymethyl)phenyl]-5-fluorobenzamide
SMILESCOCc1c(Cl)cccc1NC(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H11Cl3FNO2/c1-22-7-9-10(16)3-2-4-14(9)20-15(21)8-5-13(19)12(18)6-11(8)17/h2-6H,7H2,1H3,(H,20,21)
InChIKeyXNUPOLDXNSOKNB-UHFFFAOYSA-N
MW362.62 g/mol
LogP5.18
Rot. Bonds4

About 2,4-dichloro-N-[3-chloro-2-(methoxymethyl)phenyl]-5-fluorobenzamide

2,4-dichloro-N-[3-chloro-2-(methoxymethyl)phenyl]-5-fluorobenzamide (PubChem CID 71919092) has the molecular formula C15H11Cl3FNO2 and a molecular weight of 362.62 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-chloro-2-(methoxymethyl)phenyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-chloro-2-(methoxymethyl)phenyl]-5-fluorobenzamide
PubChem CID71919092
Molecular FormulaC15H11Cl3FNO2
Molecular Weight362.62 g/mol
Exact Mass360.98
IUPAC Name2,4-dichloro-N-[3-chloro-2-(methoxymethyl)phenyl]-5-fluorobenzamide
SMILESCOCc1c(Cl)cccc1NC(=O)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H11Cl3FNO2/c1-22-7-9-10(16)3-2-4-14(9)20-15(21)8-5-13(19)12(18)6-11(8)17/h2-6H,7H2,1H3,(H,20,21)
InChIKeyXNUPOLDXNSOKNB-UHFFFAOYSA-N
XLogP5.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.62
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-2-(methoxymethyl)phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 167851785
2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide
CID 9192573
2,4-dichloro-N-(4,5-dimethoxy-2-methylphenyl)-5-fluorobenzamide
CID 27669456
[2-(2-methoxycarbonylanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8649189
2,4-dichloro-5-fluoro-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 30481632
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
2,4-dichloro-N-(3-ethynylphenyl)-5-fluorobenzamide
CID 51330118
2,4-dichloro-N-[2-(2-chloroanilino)-2-oxoethyl]-5-fluoro-N-methylbenzamide
CID 38660284
3-[3-chloro-2-(methoxymethyl)phenyl]-1-methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 84598763
3-[(2,4-dichloro-5-fluorobenzoyl)amino]thiophene-2-carboxylic acid
CID 43171762
N-(2-benzoylphenyl)-2-chloro-4,5-difluorobenzamide
CID 992682
2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-chloro-2-(methoxymethyl)phenyl]-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-[3-chloro-2-(methoxymethyl)phenyl]-5-fluorobenzamide (CID 71919092) is 2,4-dichloro-N-[3-chloro-2-(methoxymethyl)phenyl]-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-chloro-2-(methoxymethyl)phenyl]-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-[3-chloro-2-(methoxymethyl)phenyl]-5-fluorobenzamide is COCc1c(Cl)cccc1NC(=O)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[3-chloro-2-(methoxymethyl)phenyl]-5-fluorobenzamide?
The InChIKey is XNUPOLDXNSOKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl3FNO2/c1-22-7-9-10(16)3-2-4-14(9)20-15(21)8-5-13(19)12(18)6-11(8)17/h2-6H,7H2,1H3,(H,20,21).
What are the key properties of 2,4-dichloro-N-[3-chloro-2-(methoxymethyl)phenyl]-5-fluorobenzamide?
2,4-dichloro-N-[3-chloro-2-(methoxymethyl)phenyl]-5-fluorobenzamide has a molecular weight of 362.62 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-chloro-2-(methoxymethyl)phenyl]-5-fluorobenzamide is sourced from PubChem (CID 71919092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).