2,2-dichloro-1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

C17H12Cl2F3NO — CID 2832397

IUPAC2,2-dichloro-1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C17H12Cl2F3NO/c18-16(19)10-15(16,11-5-2-1-3-6-11)14(24)23-13-8-4-7-12(9-13)17(20,21)22/h1-9H,10H2,(H,23,24)
InChIKeyPTEJXOSDLFWBEK-UHFFFAOYSA-N
MW374.19 g/mol
LogP5.16
Rot. Bonds3

About 2,2-dichloro-1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide

2,2-dichloro-1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (PubChem CID 2832397) has the molecular formula C17H12Cl2F3NO and a molecular weight of 374.19 g/mol. Its IUPAC name is 2,2-dichloro-1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
PubChem CID2832397
Molecular FormulaC17H12Cl2F3NO
Molecular Weight374.19 g/mol
Exact Mass373.02
IUPAC Name2,2-dichloro-1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C17H12Cl2F3NO/c18-16(19)10-15(16,11-5-2-1-3-6-11)14(24)23-13-8-4-7-12(9-13)17(20,21)22/h1-9H,10H2,(H,23,24)
InChIKeyPTEJXOSDLFWBEK-UHFFFAOYSA-N
XLogP5.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.19
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 2526231
(1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 7039242
1-acetyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 39888148
chlorobenzene;[3-(trifluoromethyl)phenyl]carbamic acid
CID 174624155
1,2,2,3-tetramethyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 4729479
1-N-(4-fluorophenyl)-1-N'-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982389
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
(1R,4S)-7,7-dimethyl-2,3-dioxo-N-[3-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-1-carboxamide
CID 23376339
(E)-2,3-dichloro-4-oxo-4-[3-(trifluoromethyl)anilino]but-2-enoic acid
CID 5386948
1-hydroxy-3-[3-(trifluoromethyl)phenyl]urea
CID 4106892
(1S,2S,5R,6S)-2,6-dimethyl-N-[3-(trifluoromethyl)phenyl]tricyclo[3.2.0.02,6]heptane-1-carboxamide
CID 98525297
1-[3-(trifluoromethyl)phenyl]-3-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]thiourea
CID 100766675

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide (CID 2832397) is 2,2-dichloro-1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
The InChIKey is PTEJXOSDLFWBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2F3NO/c18-16(19)10-15(16,11-5-2-1-3-6-11)14(24)23-13-8-4-7-12(9-13)17(20,21)22/h1-9H,10H2,(H,23,24).
What are the key properties of 2,2-dichloro-1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide?
2,2-dichloro-1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide has a molecular weight of 374.19 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 2832397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).