4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide

C20H13ClF2N2O5 — CID 26681382

IUPAC4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(F)cc2F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C20H13ClF2N2O5/c1-29-19-8-11(20(26)24-15-5-4-13(22)10-14(15)23)2-6-18(19)30-17-7-3-12(21)9-16(17)25(27)28/h2-10H,1H3,(H,24,26)
InChIKeyWEQFWJKKDSMONL-UHFFFAOYSA-N
MW434.78 g/mol
LogP5.58
Rot. Bonds6

About 4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide

4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide (PubChem CID 26681382) has the molecular formula C20H13ClF2N2O5 and a molecular weight of 434.78 g/mol. Its IUPAC name is 4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide
PubChem CID26681382
Molecular FormulaC20H13ClF2N2O5
Molecular Weight434.78 g/mol
Exact Mass434.05
IUPAC Name4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(F)cc2F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C20H13ClF2N2O5/c1-29-19-8-11(20(26)24-15-5-4-13(22)10-14(15)23)2-6-18(19)30-17-7-3-12(21)9-16(17)25(27)28/h2-10H,1H3,(H,24,26)
InChIKeyWEQFWJKKDSMONL-UHFFFAOYSA-N
XLogP5.58
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.78
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

methyl 5-[[4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoyl]amino]-2,4-difluorobenzoate
CID 24659284
4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide
CID 26696729
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 7946667
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
4-(4-chloro-2-nitrophenoxy)-N-(3,4-dimethylphenyl)-3-methoxybenzamide
CID 18281892
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 26085838
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylsulfonylphenyl)benzamide
CID 55474791
4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid
CID 2405242
N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide
CID 711542
4-(4-chloro-2-nitrophenoxy)-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybenzamide
CID 18227092
5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide
CID 56827700
N-(1-amino-2-methylpropan-2-yl)-4-(4-chloro-2-nitrophenoxy)-3-methoxybenzamide
CID 119524853

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide?
The IUPAC name of 4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide (CID 26681382) is 4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide.
What is the SMILES notation for 4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide?
The canonical SMILES for 4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc(F)cc2F)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide?
The InChIKey is WEQFWJKKDSMONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N2O5/c1-29-19-8-11(20(26)24-15-5-4-13(22)10-14(15)23)2-6-18(19)30-17-7-3-12(21)9-16(17)25(27)28/h2-10H,1H3,(H,24,26).
What are the key properties of 4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide?
4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide has a molecular weight of 434.78 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide is sourced from PubChem (CID 26681382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).