N-[3-chloro-2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)acetamide

C16H15ClN2O4 — CID 75380328

IUPACN-[3-chloro-2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
SMILESCOCc1c(Cl)cccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15ClN2O4/c1-23-10-13-14(17)3-2-4-15(13)18-16(20)9-11-5-7-12(8-6-11)19(21)22/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyRHXIPDDTWKLECF-UHFFFAOYSA-N
MW334.76 g/mol
LogP3.58
Rot. Bonds6

About N-[3-chloro-2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)acetamide

N-[3-chloro-2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)acetamide (PubChem CID 75380328) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is N-[3-chloro-2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
PubChem CID75380328
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC NameN-[3-chloro-2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)acetamide
SMILESCOCc1c(Cl)cccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H15ClN2O4/c1-23-10-13-14(17)3-2-4-15(13)18-16(20)9-11-5-7-12(8-6-11)19(21)22/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyRHXIPDDTWKLECF-UHFFFAOYSA-N
XLogP3.58
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 53.58
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

N-(3-chloro-2-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 772340
N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 26264303
N-(2-chloro-3-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 5216204
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
2-(4-nitrophenyl)-N-(2-propylphenyl)acetamide
CID 31868499
N-(2-chloro-5-nitrophenyl)-2-(4-methylphenyl)acetamide
CID 889214
2-(4-nitrophenyl)-N-(2-propoxyphenyl)acetamide
CID 30728355
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2892197
N-(2-chloro-5-nitrophenyl)-2-(4-chlorophenyl)acetamide
CID 4048119
N-(2-chloro-5-nitrophenyl)-2-(4-phenylphenyl)acetamide
CID 92556751
N-[2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide
CID 47047335
N-(3-acetamidophenyl)-2-(4-nitrophenyl)acetamide
CID 3317661

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[3-chloro-2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)acetamide (CID 75380328) is N-[3-chloro-2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[3-chloro-2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[3-chloro-2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)acetamide is COCc1c(Cl)cccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[3-chloro-2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)acetamide?
The InChIKey is RHXIPDDTWKLECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-23-10-13-14(17)3-2-4-15(13)18-16(20)9-11-5-7-12(8-6-11)19(21)22/h2-8H,9-10H2,1H3,(H,18,20).
What are the key properties of N-[3-chloro-2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)acetamide?
N-[3-chloro-2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)acetamide has a molecular weight of 334.76 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(methoxymethyl)phenyl]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 75380328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).