2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide

C18H18ClF2NO2 — CID 600447

IUPAC2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide
SMILESCCCCCOc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C18H18ClF2NO2/c1-2-3-4-9-24-13-7-5-12(6-8-13)22-18(23)14-10-16(20)17(21)11-15(14)19/h5-8,10-11H,2-4,9H2,1H3,(H,22,23)
InChIKeyYNCJLNZHAJDWHW-UHFFFAOYSA-N
MW353.80 g/mol
LogP5.44
Rot. Bonds7

About 2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide

2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide (PubChem CID 600447) has the molecular formula C18H18ClF2NO2 and a molecular weight of 353.80 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide
PubChem CID600447
Molecular FormulaC18H18ClF2NO2
Molecular Weight353.80 g/mol
Exact Mass353.10
IUPAC Name2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide
SMILESCCCCCOc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C18H18ClF2NO2/c1-2-3-4-9-24-13-7-5-12(6-8-13)22-18(23)14-10-16(20)17(21)11-15(14)19/h5-8,10-11H,2-4,9H2,1H3,(H,22,23)
InChIKeyYNCJLNZHAJDWHW-UHFFFAOYSA-N
XLogP5.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.80
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-5-fluoro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116203
2-chloro-5-nitro-N-(4-pentoxyphenyl)benzamide
CID 19171139
N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide
CID 4950672
2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide
CID 26178128
2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide
CID 106501743
2-chloro-N-(3,4-diethoxyphenyl)-4,5-difluorobenzamide
CID 2569815
2,4-diethoxy-N-(4-hexoxyphenyl)benzamide
CID 17340669
2,4-diethoxy-N-(4-heptoxyphenyl)benzamide
CID 17340675
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide
CID 2261087
2,4-difluoro-N-(4-propoxyphenyl)benzamide
CID 17178087

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide (CID 600447) is 2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide is CCCCCOc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide?
The InChIKey is YNCJLNZHAJDWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF2NO2/c1-2-3-4-9-24-13-7-5-12(6-8-13)22-18(23)14-10-16(20)17(21)11-15(14)19/h5-8,10-11H,2-4,9H2,1H3,(H,22,23).
What are the key properties of 2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide?
2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide has a molecular weight of 353.80 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide is sourced from PubChem (CID 600447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).