4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-nitroanilino)ethyl]benzamide

C18H19ClN4O6 — CID 16961898

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-nitroanilino)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H19ClN4O6/c1-28-15-9-11(8-12(19)17(15)29-10-16(20)24)18(25)22-7-6-21-13-4-2-3-5-14(13)23(26)27/h2-5,8-9,21H,6-7,10H2,1H3,(H2,20,24)(H,22,25)
InChIKeyFKCVGCDTQKACFF-UHFFFAOYSA-N
MW422.83 g/mol
LogP1.96
Rot. Bonds10

About 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-nitroanilino)ethyl]benzamide

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-nitroanilino)ethyl]benzamide (PubChem CID 16961898) has the molecular formula C18H19ClN4O6 and a molecular weight of 422.83 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-nitroanilino)ethyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-nitroanilino)ethyl]benzamide
PubChem CID16961898
Molecular FormulaC18H19ClN4O6
Molecular Weight422.83 g/mol
Exact Mass422.10
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-nitroanilino)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc(Cl)c1OCC(N)=O
InChIInChI=1S/C18H19ClN4O6/c1-28-15-9-11(8-12(19)17(15)29-10-16(20)24)18(25)22-7-6-21-13-4-2-3-5-14(13)23(26)27/h2-5,8-9,21H,6-7,10H2,1H3,(H2,20,24)(H,22,25)
InChIKeyFKCVGCDTQKACFF-UHFFFAOYSA-N
XLogP1.96
TPSA145.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.83
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-nitroanilino)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

3,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278136
3,5-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278183
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 51310672
3-methoxy-N-[2-(2-nitroanilino)ethyl]-4-prop-2-enoxybenzamide
CID 41275702
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride
CID 119508033
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119629178
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[2-(2-nitroanilino)ethyl]prop-2-enamide
CID 55408654
2,4,5-trimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278201
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-5-methoxybenzamide
CID 55724832
N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-3-(2-nitroanilino)propanamide
CID 55891492
3,4-dimethyl-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278238
2,4-dimethoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 9278181

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-nitroanilino)ethyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-nitroanilino)ethyl]benzamide (CID 16961898) is 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-nitroanilino)ethyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-nitroanilino)ethyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-nitroanilino)ethyl]benzamide is COc1cc(C(=O)NCCNc2ccccc2[N+](=O)[O-])cc(Cl)c1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-nitroanilino)ethyl]benzamide?
The InChIKey is FKCVGCDTQKACFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O6/c1-28-15-9-11(8-12(19)17(15)29-10-16(20)24)18(25)22-7-6-21-13-4-2-3-5-14(13)23(26)27/h2-5,8-9,21H,6-7,10H2,1H3,(H2,20,24)(H,22,25).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-nitroanilino)ethyl]benzamide?
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-nitroanilino)ethyl]benzamide has a molecular weight of 422.83 g/mol, XLogP of 1.96, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-nitroanilino)ethyl]benzamide is sourced from PubChem (CID 16961898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).