2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide

C19H18Cl2FNO3 — CID 31871992

IUPAC2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide
SMILESCOc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1OC1CCCC1
InChIInChI=1S/C19H18Cl2FNO3/c1-25-17-7-6-11(8-18(17)26-12-4-2-3-5-12)23-19(24)13-9-16(22)15(21)10-14(13)20/h6-10,12H,2-5H2,1H3,(H,23,24)
InChIKeyOUTFSCZENKSRKQ-UHFFFAOYSA-N
MW398.26 g/mol
LogP5.71
Rot. Bonds5

About 2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide

2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide (PubChem CID 31871992) has the molecular formula C19H18Cl2FNO3 and a molecular weight of 398.26 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide
PubChem CID31871992
Molecular FormulaC19H18Cl2FNO3
Molecular Weight398.26 g/mol
Exact Mass397.06
IUPAC Name2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide
SMILESCOc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1OC1CCCC1
InChIInChI=1S/C19H18Cl2FNO3/c1-25-17-7-6-11(8-18(17)26-12-4-2-3-5-12)23-19(24)13-9-16(22)15(21)10-14(13)20/h6-10,12H,2-5H2,1H3,(H,23,24)
InChIKeyOUTFSCZENKSRKQ-UHFFFAOYSA-N
XLogP5.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.26
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide
CID 31870921
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226
2-(3-chloro-4-fluorophenoxy)-N-(3-cyclopentyloxy-4-methoxyphenyl)acetamide
CID 31873416
N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632
5-cyclopentyloxy-2-fluoro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 22145674
3-cyclopentyloxy-N-(4-fluorophenyl)-4-methoxybenzamide
CID 10404302
N-(3-cyclopentyloxy-4-methoxyphenyl)furan-3-carboxamide
CID 31872175
2,5-dichloro-N-(3-fluoro-4-methoxyphenyl)-4-methoxybenzamide
CID 167851526
N-(4-chloro-3-pyridinyl)-5-cyclopentyloxy-2-fluoro-4-methoxybenzamide
CID 22145902
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2,4-dichloro-5-fluorobenzoate
CID 8649155
N-(3-cyclopentyloxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 51094450
2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide
CID 16563331

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide?
The IUPAC name of 2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide (CID 31871992) is 2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide?
The canonical SMILES for 2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide is COc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1OC1CCCC1.
What is the InChIKey of 2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide?
The InChIKey is OUTFSCZENKSRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2FNO3/c1-25-17-7-6-11(8-18(17)26-12-4-2-3-5-12)23-19(24)13-9-16(22)15(21)10-14(13)20/h6-10,12H,2-5H2,1H3,(H,23,24).
What are the key properties of 2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide?
2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide has a molecular weight of 398.26 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide is sourced from PubChem (CID 31871992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).