4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-nitrobenzamide

C14H7Cl2F3N2O3 — CID 1336327

IUPAC4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H7Cl2F3N2O3/c15-8-2-4-11(9(6-8)14(17,18)19)20-13(22)7-1-3-10(16)12(5-7)21(23)24/h1-6H,(H,20,22)
InChIKeyLIQLNXDEANFALO-UHFFFAOYSA-N
MW379.12 g/mol
LogP5.17
Rot. Bonds3

About 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-nitrobenzamide

4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-nitrobenzamide (PubChem CID 1336327) has the molecular formula C14H7Cl2F3N2O3 and a molecular weight of 379.12 g/mol. Its IUPAC name is 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-nitrobenzamide
PubChem CID1336327
Molecular FormulaC14H7Cl2F3N2O3
Molecular Weight379.12 g/mol
Exact Mass377.98
IUPAC Name4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C14H7Cl2F3N2O3/c15-8-2-4-11(9(6-8)14(17,18)19)20-13(22)7-1-3-10(16)12(5-7)21(23)24/h1-6H,(H,20,22)
InChIKeyLIQLNXDEANFALO-UHFFFAOYSA-N
XLogP5.17
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.12
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methyl-4-nitrobenzamide
CID 4512622
3-(4-chloro-3-nitrophenyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]prop-2-enamide
CID 4512953
N-[4-[(4-chloro-3-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55782239
4-chloro-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 956247
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
4-chloro-N-[5-chloro-2-(2,2,3,3-tetrafluoropropoxy)phenyl]-3-nitrobenzamide
CID 5063007
4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide
CID 60629488
4-chloro-3,5-dinitro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 3523011
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 2296321
4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-nitrobenzamide (CID 1336327) is 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-nitrobenzamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-nitrobenzamide?
The InChIKey is LIQLNXDEANFALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F3N2O3/c15-8-2-4-11(9(6-8)14(17,18)19)20-13(22)7-1-3-10(16)12(5-7)21(23)24/h1-6H,(H,20,22).
What are the key properties of 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-nitrobenzamide?
4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-nitrobenzamide has a molecular weight of 379.12 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-nitrobenzamide is sourced from PubChem (CID 1336327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).