2-chloro-N-(chlorocarbamoyl)-N-[4-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]benzamide

C17H10Cl3F3N2O2 — CID 173399011

IUPAC2-chloro-N-(chlorocarbamoyl)-N-[4-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]benzamide
SMILESO=C(NCl)N(C(=O)c1ccccc1Cl)c1ccc(C=C(Cl)C(F)(F)F)cc1
InChIInChI=1S/C17H10Cl3F3N2O2/c18-13-4-2-1-3-12(13)15(26)25(16(27)24-20)11-7-5-10(6-8-11)9-14(19)17(21,22)23/h1-9H,(H,24,27)
InChIKeySATNGPGRLZWQSK-UHFFFAOYSA-N
MW437.63 g/mol
LogP5.99
Rot. Bonds3

About 2-chloro-N-(chlorocarbamoyl)-N-[4-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]benzamide

2-chloro-N-(chlorocarbamoyl)-N-[4-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]benzamide (PubChem CID 173399011) has the molecular formula C17H10Cl3F3N2O2 and a molecular weight of 437.63 g/mol. Its IUPAC name is 2-chloro-N-(chlorocarbamoyl)-N-[4-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-(chlorocarbamoyl)-N-[4-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]benzamide
PubChem CID173399011
Molecular FormulaC17H10Cl3F3N2O2
Molecular Weight437.63 g/mol
Exact Mass435.98
IUPAC Name2-chloro-N-(chlorocarbamoyl)-N-[4-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]benzamide
SMILESO=C(NCl)N(C(=O)c1ccccc1Cl)c1ccc(C=C(Cl)C(F)(F)F)cc1
InChIInChI=1S/C17H10Cl3F3N2O2/c18-13-4-2-1-3-12(13)15(26)25(16(27)24-20)11-7-5-10(6-8-11)9-14(19)17(21,22)23/h1-9H,(H,24,27)
InChIKeySATNGPGRLZWQSK-UHFFFAOYSA-N
XLogP5.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.63
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[3-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]carbamoyl]benzamide
CID 154220951
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N-tert-butyl-2-chloro-N'-(trifluoromethyl)benzohydrazide
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3-(2-chlorophenyl)-3-oxopropanoyl chloride
CID 175437558
2-chloro-N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 18112781
N-carbamoyl-2-chloro-N-(2-chlorobenzoyl)benzamide
CID 70407474
2-chloro-N-[1-[4-(diethylamino)phenyl]-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
CID 2882184
(E)-N-(2-chlorophenyl)-2-cyano-3-[4-(trifluoromethylsulfanyl)phenyl]prop-2-enamide
CID 24542423
1-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2-nitrobenzene
CID 101491955
(E)-3-(4-chlorophenyl)-2-[(2-methylbenzoyl)amino]prop-2-enoate
CID 2190329
2-chloro-N-[(E)-2-phenyl-1-phenylmethoxyethenyl]benzamide
CID 143726718
(Z)-4-(2-chlorophenyl)-1,1,1-trifluorobut-3-en-2-one
CID 23274147

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(chlorocarbamoyl)-N-[4-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-(chlorocarbamoyl)-N-[4-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]benzamide (CID 173399011) is 2-chloro-N-(chlorocarbamoyl)-N-[4-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-(chlorocarbamoyl)-N-[4-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-(chlorocarbamoyl)-N-[4-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]benzamide is O=C(NCl)N(C(=O)c1ccccc1Cl)c1ccc(C=C(Cl)C(F)(F)F)cc1.
What is the InChIKey of 2-chloro-N-(chlorocarbamoyl)-N-[4-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]benzamide?
The InChIKey is SATNGPGRLZWQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3F3N2O2/c18-13-4-2-1-3-12(13)15(26)25(16(27)24-20)11-7-5-10(6-8-11)9-14(19)17(21,22)23/h1-9H,(H,24,27).
What are the key properties of 2-chloro-N-(chlorocarbamoyl)-N-[4-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]benzamide?
2-chloro-N-(chlorocarbamoyl)-N-[4-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]benzamide has a molecular weight of 437.63 g/mol, XLogP of 5.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(chlorocarbamoyl)-N-[4-(2-chloro-3,3,3-trifluoroprop-1-enyl)phenyl]benzamide is sourced from PubChem (CID 173399011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).