(2S)-N-(3-chlorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide

C10H7ClF3NO2 — CID 151044125

IUPAC(2S)-N-(3-chlorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@]1(C(F)(F)F)CO1
InChIInChI=1S/C10H7ClF3NO2/c11-6-2-1-3-7(4-6)15-8(16)9(5-17-9)10(12,13)14/h1-4H,5H2,(H,15,16)/t9-/m0/s1
InChIKeyMCSBXRLKKPYSAK-VIFPVBQESA-N
MW265.62 g/mol
LogP2.61
Rot. Bonds2

About (2S)-N-(3-chlorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide

(2S)-N-(3-chlorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide (PubChem CID 151044125) has the molecular formula C10H7ClF3NO2 and a molecular weight of 265.62 g/mol. Its IUPAC name is (2S)-N-(3-chlorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-chlorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide
PubChem CID151044125
Molecular FormulaC10H7ClF3NO2
Molecular Weight265.62 g/mol
Exact Mass265.01
IUPAC Name(2S)-N-(3-chlorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@]1(C(F)(F)F)CO1
InChIInChI=1S/C10H7ClF3NO2/c11-6-2-1-3-7(4-6)15-8(16)9(5-17-9)10(12,13)14/h1-4H,5H2,(H,15,16)/t9-/m0/s1
InChIKeyMCSBXRLKKPYSAK-VIFPVBQESA-N
XLogP2.61
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.62
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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1-N'-(3-chlorophenyl)-1-N-(3-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 108982541
1-N'-(3-acetylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
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N-(3-chlorophenyl)-1-[(E)-N'-hydroxycarbamimidoyl]cyclobutane-1-carboxamide
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N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
1-N'-(3-chloro-2-methylphenyl)-1-N-(3-chlorophenyl)cyclopropane-1,1-dicarboxamide
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N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
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CID 110272456

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chlorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide?
The IUPAC name of (2S)-N-(3-chlorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide (CID 151044125) is (2S)-N-(3-chlorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-chlorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide?
The canonical SMILES for (2S)-N-(3-chlorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide is O=C(Nc1cccc(Cl)c1)[C@]1(C(F)(F)F)CO1.
What is the InChIKey of (2S)-N-(3-chlorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide?
The InChIKey is MCSBXRLKKPYSAK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H7ClF3NO2/c11-6-2-1-3-7(4-6)15-8(16)9(5-17-9)10(12,13)14/h1-4H,5H2,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-N-(3-chlorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide?
(2S)-N-(3-chlorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide has a molecular weight of 265.62 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chlorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide is sourced from PubChem (CID 151044125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).