N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide

C17H14ClF3N2O2 — CID 17154442

IUPACN-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H14ClF3N2O2/c18-13-7-6-12(17(19,20)21)10-14(13)23-15(24)8-9-22-16(25)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,22,25)(H,23,24)
InChIKeyMWDWQDQIEUIZHQ-UHFFFAOYSA-N
MW370.76 g/mol
LogP4.12
Rot. Bonds5

About N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide

N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide (PubChem CID 17154442) has the molecular formula C17H14ClF3N2O2 and a molecular weight of 370.76 g/mol. Its IUPAC name is N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide.

Molecular Properties

Compound NameN-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
PubChem CID17154442
Molecular FormulaC17H14ClF3N2O2
Molecular Weight370.76 g/mol
Exact Mass370.07
IUPAC NameN-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C17H14ClF3N2O2/c18-13-7-6-12(17(19,20)21)10-14(13)23-15(24)8-9-22-16(25)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,22,25)(H,23,24)
InChIKeyMWDWQDQIEUIZHQ-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

3-[2-chloro-5-(trifluoromethyl)anilino]-N-(2-fluorophenyl)propanamide
CID 109037505
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-phenylacetamide
CID 113000074
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 46809375
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-methylbenzamide
CID 113000065
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(4-fluoroanilino)propanamide
CID 109037746
N-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-3-phenylpropanamide
CID 113000076
1-N-butyl-4-N-[2-chloro-5-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043789
[(1R)-2-oxo-1,2-diphenylethyl] 4-[2-chloro-5-(trifluoromethyl)anilino]-4-oxobutanoate
CID 126185459
4-chloro-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]benzamide
CID 7900650
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(3,3-diphenylpropyl)urea
CID 17087721
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(N-ethylanilino)propanamide
CID 109036553

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide?
The IUPAC name of N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide (CID 17154442) is N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide.
What is the SMILES notation for N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide?
The canonical SMILES for N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide?
The InChIKey is MWDWQDQIEUIZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2/c18-13-7-6-12(17(19,20)21)10-14(13)23-15(24)8-9-22-16(25)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,22,25)(H,23,24).
What are the key properties of N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide?
N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]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 N-[3-[2-chloro-5-(trifluoromethyl)anilino]-3-oxopropyl]benzamide is sourced from PubChem (CID 17154442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).