4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide

C17H14ClF3N2O2 — CID 7900650

IUPAC4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF3N2O2/c18-13-6-4-11(5-7-13)16(25)22-9-8-15(24)23-14-3-1-2-12(10-14)17(19,20)21/h1-7,10H,8-9H2,(H,22,25)(H,23,24)
InChIKeyRFAUTLFACFSHBT-UHFFFAOYSA-N
MW370.76 g/mol
LogP4.12
Rot. Bonds5

About 4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide

4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide (PubChem CID 7900650) has the molecular formula C17H14ClF3N2O2 and a molecular weight of 370.76 g/mol. Its IUPAC name is 4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide
PubChem CID7900650
Molecular FormulaC17H14ClF3N2O2
Molecular Weight370.76 g/mol
Exact Mass370.07
IUPAC Name4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF3N2O2/c18-13-6-4-11(5-7-13)16(25)22-9-8-15(24)23-14-3-1-2-12(10-14)17(19,20)21/h1-7,10H,8-9H2,(H,22,25)(H,23,24)
InChIKeyRFAUTLFACFSHBT-UHFFFAOYSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]benzamide
CID 2992727
3-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2366241
N-(3-chlorophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109037972
4-chloro-N-[2-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 42702821
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
4-chloro-N-[3-oxo-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynylamino]propyl]benzamide
CID 24686021
4-chloro-N-[3-[N-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]propyl]benzamide
CID 42701967
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
1-N-butyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043779
3-(2,4-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 100605483
N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
CID 17154442
N-[4-(4-chloroanilino)-4-oxobutyl]-3,5-bis(trifluoromethyl)benzamide
CID 46225306

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide?
The IUPAC name of 4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide (CID 7900650) is 4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide is O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide?
The InChIKey is RFAUTLFACFSHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2/c18-13-6-4-11(5-7-13)16(25)22-9-8-15(24)23-14-3-1-2-12(10-14)17(19,20)21/h1-7,10H,8-9H2,(H,22,25)(H,23,24).
What are the key properties of 4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide?
4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide has a molecular weight of 370.76 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide is sourced from PubChem (CID 7900650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).