N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide

C14H7F5N2O2 — CID 15504397

IUPACN-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H7F5N2O2/c15-7-8(16)10(18)12(11(19)9(7)17)20-14(23)21-13(22)6-4-2-1-3-5-6/h1-5H,(H2,20,21,22,23)
InChIKeyORSSKIVFSHCHJS-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.34
Rot. Bonds2

About N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide

N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide (PubChem CID 15504397) has the molecular formula C14H7F5N2O2 and a molecular weight of 330.21 g/mol. Its IUPAC name is N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide.

Molecular Properties

Compound NameN-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide
PubChem CID15504397
Molecular FormulaC14H7F5N2O2
Molecular Weight330.21 g/mol
Exact Mass330.04
IUPAC NameN-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H7F5N2O2/c15-7-8(16)10(18)12(11(19)9(7)17)20-14(23)21-13(22)6-4-2-1-3-5-6/h1-5H,(H2,20,21,22,23)
InChIKeyORSSKIVFSHCHJS-UHFFFAOYSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(trifluoromethylcarbamoyl)benzamide
CID 154349389
N-[(4-bromo-2-fluorophenyl)carbamoyl]benzamide
CID 2985483
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
4-iodo-N-(2,3,4,5,6-pentafluorophenyl)benzamide
CID 78909417
N-(ethylcarbamoyl)benzamide
CID 23273840
N-(propan-2-ylcarbamoyl)benzamide
CID 2986554
N-[[3-(benzoylcarbamoylamino)-2-pyridin-2-yl-4-pyridinyl]carbamoyl]benzamide
CID 71341780
N-(2,6-difluoro-3-methylphenyl)benzamide
CID 82819371
N-(benzhydrylcarbamoyl)benzamide
CID 2850647
4-amino-N-[(2-chloro-6-fluorophenyl)carbamoyl]benzamide
CID 108896594
N-methylbenzamide
CID 11954
3-[(4-carboxybenzoyl)carbamoylamino]benzoic acid
CID 139741227

Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide?
The IUPAC name of N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide (CID 15504397) is N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide.
What is the SMILES notation for N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide?
The canonical SMILES for N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide is O=C(NC(=O)c1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide?
The InChIKey is ORSSKIVFSHCHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5N2O2/c15-7-8(16)10(18)12(11(19)9(7)17)20-14(23)21-13(22)6-4-2-1-3-5-6/h1-5H,(H2,20,21,22,23).
What are the key properties of N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide?
N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide has a molecular weight of 330.21 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,4,5,6-pentafluorophenyl)carbamoyl]benzamide is sourced from PubChem (CID 15504397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).