4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide

C20H13ClFN3O7 — CID 26696729

IUPAC4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C20H13ClFN3O7/c1-31-19-8-11(20(26)23-13-4-5-14(22)15(10-13)24(27)28)2-6-18(19)32-17-7-3-12(21)9-16(17)25(29)30/h2-10H,1H3,(H,23,26)
InChIKeyIDULWTCDZNPNFT-UHFFFAOYSA-N
MW461.79 g/mol
LogP5.35
Rot. Bonds7

About 4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide

4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide (PubChem CID 26696729) has the molecular formula C20H13ClFN3O7 and a molecular weight of 461.79 g/mol. Its IUPAC name is 4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide
PubChem CID26696729
Molecular FormulaC20H13ClFN3O7
Molecular Weight461.79 g/mol
Exact Mass461.04
IUPAC Name4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C20H13ClFN3O7/c1-31-19-8-11(20(26)23-13-4-5-14(22)15(10-13)24(27)28)2-6-18(19)32-17-7-3-12(21)9-16(17)25(29)30/h2-10H,1H3,(H,23,26)
InChIKeyIDULWTCDZNPNFT-UHFFFAOYSA-N
XLogP5.35
TPSA133.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.79
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

4-(4-chloro-2-nitrophenoxy)-N-(3,4-dimethylphenyl)-3-methoxybenzamide
CID 18281892
4-(4-chloro-2-nitrophenoxy)-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybenzamide
CID 18227092
4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide
CID 26681382
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 55566996
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 26085838
methyl 5-[[4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoyl]amino]-2,4-difluorobenzoate
CID 24659284
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 7946667
4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid
CID 2405242
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylsulfonylphenyl)benzamide
CID 55474791
N-(1-amino-2-methylpropan-2-yl)-4-(4-chloro-2-nitrophenoxy)-3-methoxybenzamide
CID 119524853
3-(ethoxymethyl)-N-(4-fluoro-3-nitrophenyl)-4-methoxybenzamide
CID 9076960
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-pentan-2-ylbenzamide
CID 42977352

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide?
The IUPAC name of 4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide (CID 26696729) is 4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide.
What is the SMILES notation for 4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide?
The canonical SMILES for 4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide?
The InChIKey is IDULWTCDZNPNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O7/c1-31-19-8-11(20(26)23-13-4-5-14(22)15(10-13)24(27)28)2-6-18(19)32-17-7-3-12(21)9-16(17)25(29)30/h2-10H,1H3,(H,23,26).
What are the key properties of 4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide?
4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide has a molecular weight of 461.79 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide is sourced from PubChem (CID 26696729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).