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

C20H16N2O4 — CID 2989529

IUPACN-(2-methylphenyl)-3-(4-nitrophenoxy)benzamide
SMILESCc1ccccc1NC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C20H16N2O4/c1-14-5-2-3-8-19(14)21-20(23)15-6-4-7-18(13-15)26-17-11-9-16(10-12-17)22(24)25/h2-13H,1H3,(H,21,23)
InChIKeyHMOGJBGQBJGDNT-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.95
Rot. Bonds5

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

N-(2-methylphenyl)-3-(4-nitrophenoxy)benzamide (PubChem CID 2989529) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-(4-nitrophenoxy)benzamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-(4-nitrophenoxy)benzamide
PubChem CID2989529
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC NameN-(2-methylphenyl)-3-(4-nitrophenoxy)benzamide
SMILESCc1ccccc1NC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C20H16N2O4/c1-14-5-2-3-8-19(14)21-20(23)15-6-4-7-18(13-15)26-17-11-9-16(10-12-17)22(24)25/h2-13H,1H3,(H,21,23)
InChIKeyHMOGJBGQBJGDNT-UHFFFAOYSA-N
XLogP4.95
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.95
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

N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
5-methyl-2-[[3-(4-nitrophenoxy)benzoyl]amino]benzoate
CID 7038362
3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide
CID 4992628
2-benzamido-4-(4-nitrophenoxy)benzoic acid
CID 67343170
2-[(3-nitrobenzoyl)amino]-4-phenoxybenzoic acid
CID 67342906
3-(4-nitrophenoxy)benzoate
CID 3680439
N-(2-cyanophenyl)-3-phenoxybenzamide
CID 17167885
3-(2,4-dinitroanilino)-N-(2-methylphenyl)benzamide
CID 3098044
2-[4-[[3-(4-nitrophenoxy)benzoyl]amino]phenoxy]acetic acid
CID 17172355
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
N-(3-chloro-2-methylphenyl)-3-phenoxybenzamide
CID 2092667

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-(4-nitrophenoxy)benzamide?
The IUPAC name of N-(2-methylphenyl)-3-(4-nitrophenoxy)benzamide (CID 2989529) is N-(2-methylphenyl)-3-(4-nitrophenoxy)benzamide.
What is the SMILES notation for N-(2-methylphenyl)-3-(4-nitrophenoxy)benzamide?
The canonical SMILES for N-(2-methylphenyl)-3-(4-nitrophenoxy)benzamide is Cc1ccccc1NC(=O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-(2-methylphenyl)-3-(4-nitrophenoxy)benzamide?
The InChIKey is HMOGJBGQBJGDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-14-5-2-3-8-19(14)21-20(23)15-6-4-7-18(13-15)26-17-11-9-16(10-12-17)22(24)25/h2-13H,1H3,(H,21,23).
What are the key properties of N-(2-methylphenyl)-3-(4-nitrophenoxy)benzamide?
N-(2-methylphenyl)-3-(4-nitrophenoxy)benzamide has a molecular weight of 348.36 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-(4-nitrophenoxy)benzamide is sourced from PubChem (CID 2989529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).