2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide

C18H19ClN2O5 — CID 24517004

IUPAC2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide
SMILESCOc1cc(CCNC(=O)Cc2ccccc2Cl)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H19ClN2O5/c1-25-16-9-13(15(21(23)24)11-17(16)26-2)7-8-20-18(22)10-12-5-3-4-6-14(12)19/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,22)
InChIKeyMRSHEZNADWWKGN-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.17
Rot. Bonds8

About 2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide

2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide (PubChem CID 24517004) has the molecular formula C18H19ClN2O5 and a molecular weight of 378.81 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide
PubChem CID24517004
Molecular FormulaC18H19ClN2O5
Molecular Weight378.81 g/mol
Exact Mass378.10
IUPAC Name2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide
SMILESCOc1cc(CCNC(=O)Cc2ccccc2Cl)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C18H19ClN2O5/c1-25-16-9-13(15(21(23)24)11-17(16)26-2)7-8-20-18(22)10-12-5-3-4-6-14(12)19/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,22)
InChIKeyMRSHEZNADWWKGN-UHFFFAOYSA-N
XLogP3.17
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-amino-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]propanamide
CID 119274215
3-(2-aminophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]propanamide;hydrochloride
CID 120608355
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide
CID 46637806
2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide
CID 46483761
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 17440543
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-methylbutanamide
CID 24622437
N-[1-[2-(4,5-dimethoxy-2-nitrophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46656128
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-nitrobenzamide
CID 54785579
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 46421443
3-bromo-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-methylindole-2-carboxamide
CID 46490443
2-(2,6-dichlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911210
2-(2-chlorophenyl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 2520945

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide (CID 24517004) is 2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide is COc1cc(CCNC(=O)Cc2ccccc2Cl)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide?
The InChIKey is MRSHEZNADWWKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5/c1-25-16-9-13(15(21(23)24)11-17(16)26-2)7-8-20-18(22)10-12-5-3-4-6-14(12)19/h3-6,9,11H,7-8,10H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide?
2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide has a molecular weight of 378.81 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide is sourced from PubChem (CID 24517004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).