2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide

C17H16Cl2N2O5 — CID 46483761

IUPAC2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide
SMILESCOc1cc(CCNC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H16Cl2N2O5/c1-25-15-7-10(14(21(23)24)9-16(15)26-2)5-6-20-17(22)12-4-3-11(18)8-13(12)19/h3-4,7-9H,5-6H2,1-2H3,(H,20,22)
InChIKeyDHISNSYNBAQFOS-UHFFFAOYSA-N
MW399.23 g/mol
LogP3.89
Rot. Bonds7

About 2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide

2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide (PubChem CID 46483761) has the molecular formula C17H16Cl2N2O5 and a molecular weight of 399.23 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide
PubChem CID46483761
Molecular FormulaC17H16Cl2N2O5
Molecular Weight399.23 g/mol
Exact Mass398.04
IUPAC Name2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide
SMILESCOc1cc(CCNC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C17H16Cl2N2O5/c1-25-15-7-10(14(21(23)24)9-16(15)26-2)5-6-20-17(22)12-4-3-11(18)8-13(12)19/h3-4,7-9H,5-6H2,1-2H3,(H,20,22)
InChIKeyDHISNSYNBAQFOS-UHFFFAOYSA-N
XLogP3.89
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 53.89
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'}

Analyze 2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]acetamide
CID 24517004
N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-5-nitrobenzamide
CID 9269435
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 46421443
3-amino-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]propanamide
CID 119274215
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-methylbutanamide
CID 24622437
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2,2-diphenylacetamide
CID 46637806
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 17440543
6-chloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 26977321
5-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-nitrobenzamide
CID 8528872
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-2-nitrobenzamide
CID 54785579
5-chloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 24517041
2-chloro-N-[3-(3,4-dimethoxyphenyl)propyl]-4-nitrobenzamide
CID 48586122

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide (CID 46483761) is 2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide is COc1cc(CCNC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide?
The InChIKey is DHISNSYNBAQFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O5/c1-25-15-7-10(14(21(23)24)9-16(15)26-2)5-6-20-17(22)12-4-3-11(18)8-13(12)19/h3-4,7-9H,5-6H2,1-2H3,(H,20,22).
What are the key properties of 2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide?
2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide has a molecular weight of 399.23 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]benzamide is sourced from PubChem (CID 46483761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).