N-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide

C22H18N2O4 — CID 158380804

IUPACN-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide
SMILESCc1cccc(CC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C22H18N2O4/c1-15-5-4-6-16(13-15)14-21(25)19-7-2-3-8-20(19)23-22(26)17-9-11-18(12-10-17)24(27)28/h2-13H,14H2,1H3,(H,23,26)
InChIKeyKETYLVAMJZUSFB-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.58
Rot. Bonds6

About N-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide

N-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide (PubChem CID 158380804) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide
PubChem CID158380804
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC NameN-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide
SMILESCc1cccc(CC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C22H18N2O4/c1-15-5-4-6-16(13-15)14-21(25)19-7-2-3-8-20(19)23-22(26)17-9-11-18(12-10-17)24(27)28/h2-13H,14H2,1H3,(H,23,26)
InChIKeyKETYLVAMJZUSFB-UHFFFAOYSA-N
XLogP4.58
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.58
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

2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid
CID 28671223
N-(4-methyl-2-phenylmethoxyphenyl)-4-nitrobenzamide
CID 22010922
2-ethylsulfanyl-N-[2-[2-(3-methylphenyl)acetyl]phenyl]benzamide
CID 158896086
2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide
CID 78794488
N-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
[2-(4-nitrophenyl)-2-oxoethyl] 2-[(4-nitrobenzoyl)amino]benzoate
CID 23934195
N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide
CID 2208926
N-[4-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]phenyl]-4-nitrobenzamide
CID 1057903
N-(2-hydroxy-5-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 103863285
N-(2-hydroxy-4-nitrophenyl)-2-(3-methylphenyl)acetamide
CID 107745566
N-[2-(bromomethyl)phenyl]-4-nitrobenzamide
CID 114309682
4-chloro-N-[2-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126001785

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide?
The IUPAC name of N-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide (CID 158380804) is N-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide is Cc1cccc(CC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide?
The InChIKey is KETYLVAMJZUSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-15-5-4-6-16(13-15)14-21(25)19-7-2-3-8-20(19)23-22(26)17-9-11-18(12-10-17)24(27)28/h2-13H,14H2,1H3,(H,23,26).
What are the key properties of N-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide?
N-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide has a molecular weight of 374.40 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methylphenyl)acetyl]phenyl]-4-nitrobenzamide is sourced from PubChem (CID 158380804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).