4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide

C21H17ClN2O5 — CID 7946667

IUPAC4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C21H17ClN2O5/c1-13-5-3-4-6-16(13)23-21(25)14-7-9-19(20(11-14)28-2)29-18-10-8-15(22)12-17(18)24(26)27/h3-12H,1-2H3,(H,23,25)
InChIKeyKXFZCVJAOMWHIW-UHFFFAOYSA-N
MW412.83 g/mol
LogP5.61
Rot. Bonds6

About 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide

4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide (PubChem CID 7946667) has the molecular formula C21H17ClN2O5 and a molecular weight of 412.83 g/mol. Its IUPAC name is 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide
PubChem CID7946667
Molecular FormulaC21H17ClN2O5
Molecular Weight412.83 g/mol
Exact Mass412.08
IUPAC Name4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C21H17ClN2O5/c1-13-5-3-4-6-16(13)23-21(25)14-7-9-19(20(11-14)28-2)29-18-10-8-15(22)12-17(18)24(26)27/h3-12H,1-2H3,(H,23,25)
InChIKeyKXFZCVJAOMWHIW-UHFFFAOYSA-N
XLogP5.61
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.83
LogP ≤ 55.61
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)-3-methoxy-N-(2-methylsulfonylphenyl)benzamide
CID 55474791
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2,4,6-trimethylphenyl)benzamide
CID 26085838
4-(4-chloro-2-nitrophenoxy)-N-(3,4-dimethylphenyl)-3-methoxybenzamide
CID 18281892
4-(4-chloro-2-nitrophenoxy)-N-(2,4-difluorophenyl)-3-methoxybenzamide
CID 26681382
N-(5-chloro-2-methylphenyl)-4-methoxy-3-nitrobenzamide
CID 2268452
4-(4-chloro-2-nitrophenoxy)-N-(4-fluoro-3-nitrophenyl)-3-methoxybenzamide
CID 26696729
methyl 5-[[4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoyl]amino]-2,4-difluorobenzoate
CID 24659284
4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid
CID 2405242
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 55566996
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
N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide
CID 711542

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide?
The IUPAC name of 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide (CID 7946667) is 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide?
The canonical SMILES for 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide is COc1cc(C(=O)Nc2ccccc2C)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide?
The InChIKey is KXFZCVJAOMWHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O5/c1-13-5-3-4-6-16(13)23-21(25)14-7-9-19(20(11-14)28-2)29-18-10-8-15(22)12-17(18)24(26)27/h3-12H,1-2H3,(H,23,25).
What are the key properties of 4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide?
4-(4-chloro-2-nitrophenoxy)-3-methoxy-N-(2-methylphenyl)benzamide has a molecular weight of 412.83 g/mol, XLogP of 5.61, 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-methylphenyl)benzamide is sourced from PubChem (CID 7946667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).