2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide

C18H17ClF2N2O2 — CID 26899774

IUPAC2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C18H17ClF2N2O2/c1-3-23(4-2)18(25)11-5-7-12(8-6-11)22-17(24)13-9-15(20)16(21)10-14(13)19/h5-10H,3-4H2,1-2H3,(H,22,24)
InChIKeyGSZFPJPUTNBJJU-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.35
Rot. Bonds5

About 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide

2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide (PubChem CID 26899774) has the molecular formula C18H17ClF2N2O2 and a molecular weight of 366.80 g/mol. Its IUPAC name is 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide
PubChem CID26899774
Molecular FormulaC18H17ClF2N2O2
Molecular Weight366.80 g/mol
Exact Mass366.09
IUPAC Name2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C18H17ClF2N2O2/c1-3-23(4-2)18(25)11-5-7-12(8-6-11)22-17(24)13-9-15(20)16(21)10-14(13)19/h5-10H,3-4H2,1-2H3,(H,22,24)
InChIKeyGSZFPJPUTNBJJU-UHFFFAOYSA-N
XLogP4.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.35
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

2-chloro-N-[4-(dimethylcarbamoyl)phenyl]-4,5-difluorobenzamide
CID 8698727
5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide
CID 2603913
1-N-(3,4-difluorophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048473
2-chloro-4,5-difluoro-N-(4-propylphenyl)benzamide
CID 26178128
2-chloro-N-[4-(diethylcarbamoyl)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 1242037
2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
CID 78776354
5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 8503683
2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
CID 9193061
2-chloro-4,5-difluoro-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]benzamide
CID 35364807
1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
2,4-dichloro-N-(4-ethylphenyl)-5-fluorobenzamide
CID 27667437
2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide
CID 600447

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide (CID 26899774) is 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide?
The InChIKey is GSZFPJPUTNBJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O2/c1-3-23(4-2)18(25)11-5-7-12(8-6-11)22-17(24)13-9-15(20)16(21)10-14(13)19/h5-10H,3-4H2,1-2H3,(H,22,24).
What are the key properties of 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide?
2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide has a molecular weight of 366.80 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(diethylcarbamoyl)phenyl]-4,5-difluorobenzamide is sourced from PubChem (CID 26899774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).