N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide

C16H16ClN3O3 — CID 133389417

IUPACN-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(C)cc2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C16H16ClN3O3/c1-10-3-5-13(12(17)7-10)19-16(21)9-18-14-6-4-11(2)8-15(14)20(22)23/h3-8,18H,9H2,1-2H3,(H,19,21)
InChIKeyPPXWPSMEUHTTAP-UHFFFAOYSA-N
MW333.78 g/mol
LogP3.92
Rot. Bonds5

About N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide

N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide (PubChem CID 133389417) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide
PubChem CID133389417
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2ccc(C)cc2[N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C16H16ClN3O3/c1-10-3-5-13(12(17)7-10)19-16(21)9-18-14-6-4-11(2)8-15(14)20(22)23/h3-8,18H,9H2,1-2H3,(H,19,21)
InChIKeyPPXWPSMEUHTTAP-UHFFFAOYSA-N
XLogP3.92
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 53.92
H-Bond Donors ≤ 52
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-chloro-4-methylphenyl)-2-[4-(1-methylimidazole-2-carbonyl)-2-nitroanilino]acetamide
CID 133305888
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210
N-(2-chloro-4-methylphenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079630
2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 26416386
2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9099396
N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 26264303
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
CID 4123173
N-(2-chloro-4-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500579
N-(2-bromoprop-2-enyl)-4-methyl-2-nitroaniline
CID 115671735
N-(2-chloro-4-methylphenyl)-3-[(4,5-dimethyl-2-nitrophenyl)sulfonylamino]propanamide
CID 86884394
N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide
CID 26637653

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide (CID 133389417) is N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide is Cc1ccc(NC(=O)CNc2ccc(C)cc2[N+](=O)[O-])c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide?
The InChIKey is PPXWPSMEUHTTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-10-3-5-13(12(17)7-10)19-16(21)9-18-14-6-4-11(2)8-15(14)20(22)23/h3-8,18H,9H2,1-2H3,(H,19,21).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide?
N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide has a molecular weight of 333.78 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide is sourced from PubChem (CID 133389417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).