N-[2-(butylcarbamoyl)-5-chlorophenyl]-2,6-difluorobenzamide

C18H17ClF2N2O2 — CID 44577460

IUPACN-[2-(butylcarbamoyl)-5-chlorophenyl]-2,6-difluorobenzamide
SMILESCCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C18H17ClF2N2O2/c1-2-3-9-22-17(24)12-8-7-11(19)10-15(12)23-18(25)16-13(20)5-4-6-14(16)21/h4-8,10H,2-3,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyBNJDGGNSTHWZEL-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.40
Rot. Bonds6

About N-[2-(butylcarbamoyl)-5-chlorophenyl]-2,6-difluorobenzamide

N-[2-(butylcarbamoyl)-5-chlorophenyl]-2,6-difluorobenzamide (PubChem CID 44577460) has the molecular formula C18H17ClF2N2O2 and a molecular weight of 366.80 g/mol. Its IUPAC name is N-[2-(butylcarbamoyl)-5-chlorophenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(butylcarbamoyl)-5-chlorophenyl]-2,6-difluorobenzamide
PubChem CID44577460
Molecular FormulaC18H17ClF2N2O2
Molecular Weight366.80 g/mol
Exact Mass366.09
IUPAC NameN-[2-(butylcarbamoyl)-5-chlorophenyl]-2,6-difluorobenzamide
SMILESCCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C18H17ClF2N2O2/c1-2-3-9-22-17(24)12-8-7-11(19)10-15(12)23-18(25)16-13(20)5-4-6-14(16)21/h4-8,10H,2-3,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyBNJDGGNSTHWZEL-UHFFFAOYSA-N
XLogP4.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(butylcarbamoyl)-5-chlorophenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[2-(butylcarbamoyl)-5-chlorophenyl]-2,6-difluorobenzamide (CID 44577460) is N-[2-(butylcarbamoyl)-5-chlorophenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[2-(butylcarbamoyl)-5-chlorophenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[2-(butylcarbamoyl)-5-chlorophenyl]-2,6-difluorobenzamide is CCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F.
What is the InChIKey of N-[2-(butylcarbamoyl)-5-chlorophenyl]-2,6-difluorobenzamide?
The InChIKey is BNJDGGNSTHWZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N2O2/c1-2-3-9-22-17(24)12-8-7-11(19)10-15(12)23-18(25)16-13(20)5-4-6-14(16)21/h4-8,10H,2-3,9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(butylcarbamoyl)-5-chlorophenyl]-2,6-difluorobenzamide?
N-[2-(butylcarbamoyl)-5-chlorophenyl]-2,6-difluorobenzamide has a molecular weight of 366.80 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylcarbamoyl)-5-chlorophenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 44577460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).