N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide

C15H13ClN2O3 — CID 772340

IUPACN-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13ClN2O3/c1-10-13(16)3-2-4-14(10)17-15(19)9-11-5-7-12(8-6-11)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyYXQAZZBQYRAKRQ-UHFFFAOYSA-N
MW304.73 g/mol
LogP3.74
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide

N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide (PubChem CID 772340) has the molecular formula C15H13ClN2O3 and a molecular weight of 304.73 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
PubChem CID772340
Molecular FormulaC15H13ClN2O3
Molecular Weight304.73 g/mol
Exact Mass304.06
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
SMILESCc1c(Cl)cccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13ClN2O3/c1-10-13(16)3-2-4-14(10)17-15(19)9-11-5-7-12(8-6-11)18(20)21/h2-8H,9H2,1H3,(H,17,19)
InChIKeyYXQAZZBQYRAKRQ-UHFFFAOYSA-N
XLogP3.74
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3-chloro-2-methylphenyl)-2-(4-hydroxyphenyl)acetamide
CID 78838854
N-[3-chloro-2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 75380328
N-(3-chloro-2-methylphenyl)-1-(4-nitrophenyl)cyclopropane-1-carboxamide
CID 100789060
N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 26264303
N-(3-chloro-2-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19515897
2-(4-carbamothioylphenyl)-N-(3-chloro-2-methylphenyl)acetamide
CID 63589257
2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
CID 2323396
N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide
CID 889214
N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 5216204
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
N-(3-chloro-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865374
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 27676992

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide (CID 772340) is N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide is Cc1c(Cl)cccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide?
The InChIKey is YXQAZZBQYRAKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O3/c1-10-13(16)3-2-4-14(10)17-15(19)9-11-5-7-12(8-6-11)18(20)21/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide has a molecular weight of 304.73 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 772340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).