[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate

C19H13ClN2O5 — CID 2348260

IUPAC[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1cccc2ccccc12
InChIInChI=1S/C19H13ClN2O5/c20-13-8-9-17(22(25)26)15(10-13)19(24)27-11-18(23)21-16-7-3-5-12-4-1-2-6-14(12)16/h1-10H,11H2,(H,21,23)
InChIKeyYQELZJTYXBBGIH-UHFFFAOYSA-N
MW384.78 g/mol
LogP4.20
Rot. Bonds5

About [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate

[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate (PubChem CID 2348260) has the molecular formula C19H13ClN2O5 and a molecular weight of 384.78 g/mol. Its IUPAC name is [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate.

Molecular Properties

Compound Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate
PubChem CID2348260
Molecular FormulaC19H13ClN2O5
Molecular Weight384.78 g/mol
Exact Mass384.05
IUPAC Name[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate
SMILESO=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1cccc2ccccc12
InChIInChI=1S/C19H13ClN2O5/c20-13-8-9-17(22(25)26)15(10-13)19(24)27-11-18(23)21-16-7-3-5-12-4-1-2-6-14(12)16/h1-10H,11H2,(H,21,23)
InChIKeyYQELZJTYXBBGIH-UHFFFAOYSA-N
XLogP4.20
TPSA98.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.78
LogP ≤ 54.20
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-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate 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-(Tert-butylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 2454102
[2-(2,4-Dimethylanilino)-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 2347844
[2-(4-Methylanilino)-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 2352379
[2-Oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-(benzylamino)-5-nitrobenzoate
CID 4618904
(2-Benzamido-2-oxoethyl) 4-chloro-2-nitrobenzoate
CID 7851946
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 2-(benzylamino)-5-nitrobenzoate
CID 3917260
Methyl 2-chloro-5-[(2-methyl-3-nitrobenzoyl)amino]benzoate
CID 978138
[2-(2-Benzoyl-4-chloroanilino)-2-oxoethyl] benzoate
CID 2426060
[2-[4-(Dimethylamino)anilino]-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 2554112
[1-[1-(4-Fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-chloro-2-nitrobenzoate
CID 4780915
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] 5-chloro-2-nitrobenzoate
CID 7952646
[2-(4-Chloroanilino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 16542150

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate?
The IUPAC name of [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate (CID 2348260) is [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate.
What is the SMILES notation for [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate?
The canonical SMILES for [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate is O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1cccc2ccccc12.
What is the InChIKey of [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate?
The InChIKey is YQELZJTYXBBGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O5/c20-13-8-9-17(22(25)26)15(10-13)19(24)27-11-18(23)21-16-7-3-5-12-4-1-2-6-14(12)16/h1-10H,11H2,(H,21,23).
What are the key properties of [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate?
[2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate has a molecular weight of 384.78 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-1-ylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate is sourced from PubChem (CID 2348260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).