N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide

C20H15ClN2O4 — CID 2279055

IUPACN-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
SMILESCc1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C20H15ClN2O4/c1-13-12-14(2-11-19(13)23(25)26)20(24)22-16-5-9-18(10-6-16)27-17-7-3-15(21)4-8-17/h2-12H,1H3,(H,22,24)
InChIKeyZSTCSCSVZWZLBT-UHFFFAOYSA-N
MW382.80 g/mol
LogP5.60
Rot. Bonds5

About N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide

N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide (PubChem CID 2279055) has the molecular formula C20H15ClN2O4 and a molecular weight of 382.80 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
PubChem CID2279055
Molecular FormulaC20H15ClN2O4
Molecular Weight382.80 g/mol
Exact Mass382.07
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide
SMILESCc1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C20H15ClN2O4/c1-13-12-14(2-11-19(13)23(25)26)20(24)22-16-5-9-18(10-6-16)27-17-7-3-15(21)4-8-17/h2-12H,1H3,(H,22,24)
InChIKeyZSTCSCSVZWZLBT-UHFFFAOYSA-N
XLogP5.60
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.80
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-chloro-N-[4-(4-methylphenoxy)phenyl]-3-nitrobenzamide
CID 2119680
N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
CID 711327
methyl 4-[(3-methyl-4-nitrobenzoyl)amino]benzoate
CID 5080605
N-(3,4-difluorophenyl)-3-methyl-4-nitrobenzamide
CID 786997
1-(4-chlorophenyl)-3-[(3-methyl-4-nitrobenzoyl)amino]thiourea
CID 9469143
5-chloro-N-[4-[4-[(5-chloro-2-nitrobenzoyl)amino]phenoxy]phenyl]-2-nitrobenzamide
CID 4605334
N-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide
CID 62680843
N-(4-ethylphenyl)-3-methyl-4-nitrobenzamide
CID 4065155
N-[4-(acetylcarbamothioylamino)phenyl]-3-methyl-4-nitrobenzamide
CID 5230068
N-(4-chlorophenyl)-4-(dimethylamino)-3-nitrobenzamide
CID 7900586
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
5-[(3-methyl-4-nitrobenzoyl)amino]benzene-1,3-dicarboxylate
CID 7278870

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide (CID 2279055) is N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide is Cc1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)ccc1[N+](=O)[O-].
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide?
The InChIKey is ZSTCSCSVZWZLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4/c1-13-12-14(2-11-19(13)23(25)26)20(24)22-16-5-9-18(10-6-16)27-17-7-3-15(21)4-8-17/h2-12H,1H3,(H,22,24).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide?
N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide has a molecular weight of 382.80 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-3-methyl-4-nitrobenzamide is sourced from PubChem (CID 2279055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).