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

C16H14ClF2NO — CID 26178128

IUPAC2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide
SMILESCCCc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C16H14ClF2NO/c1-2-3-10-4-6-11(7-5-10)20-16(21)12-8-14(18)15(19)9-13(12)17/h4-9H,2-3H2,1H3,(H,20,21)
InChIKeyKFMGFMXYZHWOJA-UHFFFAOYSA-N
MW309.74 g/mol
LogP4.82
Rot. Bonds4

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

2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide (PubChem CID 26178128) has the molecular formula C16H14ClF2NO and a molecular weight of 309.74 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide
PubChem CID26178128
Molecular FormulaC16H14ClF2NO
Molecular Weight309.74 g/mol
Exact Mass309.07
IUPAC Name2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide
SMILESCCCc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C16H14ClF2NO/c1-2-3-10-4-6-11(7-5-10)20-16(21)12-8-14(18)15(19)9-13(12)17/h4-9H,2-3H2,1H3,(H,20,21)
InChIKeyKFMGFMXYZHWOJA-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.74
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 35364807
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
2-fluoro-N-(4-propylphenyl)benzamide
CID 8803034
2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide
CID 600447
2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 26899774
2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
CID 78776354
2-amino-5-chloro-N-(4-propylphenyl)pyridine-4-carboxamide
CID 114922194
N-[4-(aminomethyl)phenyl]-2-chloro-5-fluoro-4-methylbenzamide
CID 117044896
2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 8698727
2-chloro-N-(3,4-diethoxyphenyl)-4,5-difluorobenzamide
CID 2569815
2-chloro-4,5-difluoro-N-(6-oxo-1-propyl-3-pyridinyl)benzamide
CID 52658974
2-chloro-N-(4-ethylphenyl)-4-fluorobenzamide
CID 26697286

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide (CID 26178128) is 2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide is CCCc1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide?
The InChIKey is KFMGFMXYZHWOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO/c1-2-3-10-4-6-11(7-5-10)20-16(21)12-8-14(18)15(19)9-13(12)17/h4-9H,2-3H2,1H3,(H,20,21).
What are the key properties of 2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide?
2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide has a molecular weight of 309.74 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide is sourced from PubChem (CID 26178128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).