2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide

C18H15Cl2F3N2O2 — CID 166191071

IUPAC2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15Cl2F3N2O2/c1-10(25-17(27)13-6-3-7-14(19)15(13)20)16(26)24-9-11-4-2-5-12(8-11)18(21,22)23/h2-8,10H,9H2,1H3,(H,24,26)(H,25,27)
InChIKeyUJMQGGWGTLWWSI-UHFFFAOYSA-N
MW419.23 g/mol
LogP4.45
Rot. Bonds5

About 2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide

2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide (PubChem CID 166191071) has the molecular formula C18H15Cl2F3N2O2 and a molecular weight of 419.23 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
PubChem CID166191071
Molecular FormulaC18H15Cl2F3N2O2
Molecular Weight419.23 g/mol
Exact Mass418.05
IUPAC Name2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H15Cl2F3N2O2/c1-10(25-17(27)13-6-3-7-14(19)15(13)20)16(26)24-9-11-4-2-5-12(8-11)18(21,22)23/h2-8,10H,9H2,1H3,(H,24,26)(H,25,27)
InChIKeyUJMQGGWGTLWWSI-UHFFFAOYSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.23
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide
CID 42908391
2-acetamido-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 4877482
N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
CID 94031986
1-(2,3-dichlorophenyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 4678007
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
2,3-dichloro-N-[1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 55743503
2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 43001904
(2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 26241557
(2R)-2-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 99864872
2-chloro-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 2712751
2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide
CID 18165007
2,3-dichloro-N-[1-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 55745695

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide (CID 166191071) is 2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide is CC(NC(=O)c1cccc(Cl)c1Cl)C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide?
The InChIKey is UJMQGGWGTLWWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2F3N2O2/c1-10(25-17(27)13-6-3-7-14(19)15(13)20)16(26)24-9-11-4-2-5-12(8-11)18(21,22)23/h2-8,10H,9H2,1H3,(H,24,26)(H,25,27).
What are the key properties of 2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide?
2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide has a molecular weight of 419.23 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]benzamide is sourced from PubChem (CID 166191071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).