4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide

C23H21ClN2O5 — CID 26085838

IUPAC4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C23H21ClN2O5/c1-13-9-14(2)22(15(3)10-13)25-23(27)16-5-7-20(21(11-16)30-4)31-19-8-6-17(24)12-18(19)26(28)29/h5-12H,1-4H3,(H,25,27)
InChIKeyDHPHXWPBQFLDSP-UHFFFAOYSA-N
MW440.88 g/mol
LogP6.23
Rot. Bonds6

About 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide

4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide (PubChem CID 26085838) has the molecular formula C23H21ClN2O5 and a molecular weight of 440.88 g/mol. Its IUPAC name is 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide.

Molecular Properties

Compound Name4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
PubChem CID26085838
Molecular FormulaC23H21ClN2O5
Molecular Weight440.88 g/mol
Exact Mass440.11
IUPAC Name4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C23H21ClN2O5/c1-13-9-14(2)22(15(3)10-13)25-23(27)16-5-7-20(21(11-16)30-4)31-19-8-6-17(24)12-18(19)26(28)29/h5-12H,1-4H3,(H,25,27)
InChIKeyDHPHXWPBQFLDSP-UHFFFAOYSA-N
XLogP6.23
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.88
LogP ≤ 56.23
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

4-(4-chloro-2-nitrophenoxy)-N-(3,4-dimethylphenyl)-3-methoxybenzamide
CID 18281892
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 7946667
4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide
CID 26696729
4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid
CID 2405242
4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide
CID 26681382
methyl 5-[[4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoyl]amino]-2,4-difluorobenzoate
CID 24659284
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylsulfonylphenyl)benzamide
CID 55474791
4-(4-chloro-2-nitrophenoxy)-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybenzamide
CID 18227092
N-(1-amino-2-methylpropan-2-yl)-4-(4-chloro-2-nitrophenoxy)-3-methoxybenzamide
CID 119524853
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 55566996
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-pentan-2-ylbenzamide
CID 42977352
N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 2268452

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide?
The IUPAC name of 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide (CID 26085838) is 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide.
What is the SMILES notation for 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide?
The canonical SMILES for 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide is COc1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide?
The InChIKey is DHPHXWPBQFLDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O5/c1-13-9-14(2)22(15(3)10-13)25-23(27)16-5-7-20(21(11-16)30-4)31-19-8-6-17(24)12-18(19)26(28)29/h5-12H,1-4H3,(H,25,27).
What are the key properties of 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide?
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide has a molecular weight of 440.88 g/mol, XLogP of 6.23, 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)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide is sourced from PubChem (CID 26085838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).