3-[(4-chlorobenzoyl)amino]-4-(2,2,3,3-tetrafluoropropoxy)benzamide

C17H13ClF4N2O3 — CID 7302997

IUPAC3-[(4-chlorobenzoyl)amino]-4-(2,2,3,3-tetrafluoropropoxy)benzamide
SMILESNC(=O)c1ccc(OCC(F)(F)C(F)F)c(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H13ClF4N2O3/c18-11-4-1-9(2-5-11)15(26)24-12-7-10(14(23)25)3-6-13(12)27-8-17(21,22)16(19)20/h1-7,16H,8H2,(H2,23,25)(H,24,26)
InChIKeyCTOZWFUOTKHNPQ-UHFFFAOYSA-N
MW404.75 g/mol
LogP3.97
Rot. Bonds7

About 3-[(4-chlorobenzoyl)amino]-4-(2,2,3,3-tetrafluoropropoxy)benzamide

3-[(4-chlorobenzoyl)amino]-4-(2,2,3,3-tetrafluoropropoxy)benzamide (PubChem CID 7302997) has the molecular formula C17H13ClF4N2O3 and a molecular weight of 404.75 g/mol. Its IUPAC name is 3-[(4-chlorobenzoyl)amino]-4-(2,2,3,3-tetrafluoropropoxy)benzamide.

Molecular Properties

Compound Name3-[(4-chlorobenzoyl)amino]-4-(2,2,3,3-tetrafluoropropoxy)benzamide
PubChem CID7302997
Molecular FormulaC17H13ClF4N2O3
Molecular Weight404.75 g/mol
Exact Mass404.06
IUPAC Name3-[(4-chlorobenzoyl)amino]-4-(2,2,3,3-tetrafluoropropoxy)benzamide
SMILESNC(=O)c1ccc(OCC(F)(F)C(F)F)c(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H13ClF4N2O3/c18-11-4-1-9(2-5-11)15(26)24-12-7-10(14(23)25)3-6-13(12)27-8-17(21,22)16(19)20/h1-7,16H,8H2,(H2,23,25)(H,24,26)
InChIKeyCTOZWFUOTKHNPQ-UHFFFAOYSA-N
XLogP3.97
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.75
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
CID 1247533
4-chloro-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]-3-nitrobenzamide
CID 5063007
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-fluorobenzamide
CID 30473788
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-iodobenzamide
CID 55520956
4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)phenyl]benzamide
CID 7220942
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-nitro-4-(2,2,3,3-tetrafluoropropoxy)benzamide
CID 132827479
4-(2,2-difluoroethoxy)-3-[(4-pyridin-4-ylbenzoyl)amino]benzamide
CID 155966963
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-(1,3-dithiolan-2-yl)benzamide
CID 30473938
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 37175499
3-fluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarbothioamide
CID 43658096
5-amino-2-(2,2,3,3-tetrafluoropropoxy)benzamide
CID 55136526
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-4-(2-cyanoethylsulfamoyl)benzamide
CID 37175902

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorobenzoyl)amino]-4-(2,2,3,3-tetrafluoropropoxy)benzamide?
The IUPAC name of 3-[(4-chlorobenzoyl)amino]-4-(2,2,3,3-tetrafluoropropoxy)benzamide (CID 7302997) is 3-[(4-chlorobenzoyl)amino]-4-(2,2,3,3-tetrafluoropropoxy)benzamide.
What is the SMILES notation for 3-[(4-chlorobenzoyl)amino]-4-(2,2,3,3-tetrafluoropropoxy)benzamide?
The canonical SMILES for 3-[(4-chlorobenzoyl)amino]-4-(2,2,3,3-tetrafluoropropoxy)benzamide is NC(=O)c1ccc(OCC(F)(F)C(F)F)c(NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[(4-chlorobenzoyl)amino]-4-(2,2,3,3-tetrafluoropropoxy)benzamide?
The InChIKey is CTOZWFUOTKHNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF4N2O3/c18-11-4-1-9(2-5-11)15(26)24-12-7-10(14(23)25)3-6-13(12)27-8-17(21,22)16(19)20/h1-7,16H,8H2,(H2,23,25)(H,24,26).
What are the key properties of 3-[(4-chlorobenzoyl)amino]-4-(2,2,3,3-tetrafluoropropoxy)benzamide?
3-[(4-chlorobenzoyl)amino]-4-(2,2,3,3-tetrafluoropropoxy)benzamide has a molecular weight of 404.75 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorobenzoyl)amino]-4-(2,2,3,3-tetrafluoropropoxy)benzamide is sourced from PubChem (CID 7302997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).