2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide

C19H18ClF2NO3 — CID 31870921

IUPAC2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide
SMILESCOc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1OC1CCCC1
InChIInChI=1S/C19H18ClF2NO3/c1-25-17-7-6-11(8-18(17)26-12-4-2-3-5-12)23-19(24)13-9-15(21)16(22)10-14(13)20/h6-10,12H,2-5H2,1H3,(H,23,24)
InChIKeyXODKSTYLVYITKN-UHFFFAOYSA-N
MW381.81 g/mol
LogP5.20
Rot. Bonds5

About 2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide

2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide (PubChem CID 31870921) has the molecular formula C19H18ClF2NO3 and a molecular weight of 381.81 g/mol. Its IUPAC name is 2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide
PubChem CID31870921
Molecular FormulaC19H18ClF2NO3
Molecular Weight381.81 g/mol
Exact Mass381.09
IUPAC Name2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide
SMILESCOc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1OC1CCCC1
InChIInChI=1S/C19H18ClF2NO3/c1-25-17-7-6-11(8-18(17)26-12-4-2-3-5-12)23-19(24)13-9-15(21)16(22)10-14(13)20/h6-10,12H,2-5H2,1H3,(H,23,24)
InChIKeyXODKSTYLVYITKN-UHFFFAOYSA-N
XLogP5.20
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.81
LogP ≤ 55.20
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

2,4-dichloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-5-fluorobenzamide
CID 31871992
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-chloro-N-(3,4-diethoxyphenyl)-4,5-difluorobenzamide
CID 2569815
2,5-dichloro-N-(3-fluoro-4-methoxyphenyl)-4-methoxybenzamide
CID 167851526
2-chloro-4,5-difluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851594
N-(4-chloro-3-pyridinyl)-5-cyclopentyloxy-2-fluoro-4-methoxybenzamide
CID 22145902
N-(3-cyclopentyloxy-4-methoxyphenyl)oxolane-3-carboxamide
CID 51094450

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide (CID 31870921) is 2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide is COc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1OC1CCCC1.
What is the InChIKey of 2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide?
The InChIKey is XODKSTYLVYITKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2NO3/c1-25-17-7-6-11(8-18(17)26-12-4-2-3-5-12)23-19(24)13-9-15(21)16(22)10-14(13)20/h6-10,12H,2-5H2,1H3,(H,23,24).
What are the key properties of 2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide?
2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide has a molecular weight of 381.81 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyclopentyloxy-4-methoxyphenyl)-4,5-difluorobenzamide is sourced from PubChem (CID 31870921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).