ethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate

C15H14ClN3O5 — CID 19771102

IUPACethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate
SMILESCCOC(=O)Nc1cc([N+](=O)[O-])ccc1Nc1cc(Cl)ccc1O
InChIInChI=1S/C15H14ClN3O5/c1-2-24-15(21)18-12-8-10(19(22)23)4-5-11(12)17-13-7-9(16)3-6-14(13)20/h3-8,17,20H,2H2,1H3,(H,18,21)
InChIKeyCKZBJAURVFZWKP-UHFFFAOYSA-N
MW351.75 g/mol
LogP4.27
Rot. Bonds5

About ethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate

ethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate (PubChem CID 19771102) has the molecular formula C15H14ClN3O5 and a molecular weight of 351.75 g/mol. Its IUPAC name is ethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate
PubChem CID19771102
Molecular FormulaC15H14ClN3O5
Molecular Weight351.75 g/mol
Exact Mass351.06
IUPAC Nameethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate
SMILESCCOC(=O)Nc1cc([N+](=O)[O-])ccc1Nc1cc(Cl)ccc1O
InChIInChI=1S/C15H14ClN3O5/c1-2-24-15(21)18-12-8-10(19(22)23)4-5-11(12)17-13-7-9(16)3-6-14(13)20/h3-8,17,20H,2H2,1H3,(H,18,21)
InChIKeyCKZBJAURVFZWKP-UHFFFAOYSA-N
XLogP4.27
TPSA113.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.75
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate 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

ethyl N-(2-chloro-5-nitrophenyl)carbamate
CID 766427
2-(2-amino-4-nitroanilino)-4-chlorophenol;hydrochloride
CID 19771126
ethyl 2-(ethoxycarbonylamino)-5-nitrobenzoate
CID 135043789
2-methylpropyl N-(2-hydroxy-5-nitrophenyl)carbamate
CID 56689131
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 17342420
2-(4-chlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 4639208
ethyl N-(5-chloro-2-iodophenyl)carbamate
CID 22490681
2-(2,4-dichlorophenyl)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 112771738
5-chloro-2-hydroxy-N-(2-methyl-5-nitrophenyl)benzamide
CID 828117
1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea
CID 127074411
ethyl N-[4-chloro-2-(3-chloroanilino)phenyl]carbamate
CID 12930188
2-chloroethyl N-(2-methyl-5-nitrophenyl)carbamate
CID 4140211

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate?
The IUPAC name of ethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate (CID 19771102) is ethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate.
What is the SMILES notation for ethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate?
The canonical SMILES for ethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate is CCOC(=O)Nc1cc([N+](=O)[O-])ccc1Nc1cc(Cl)ccc1O.
What is the InChIKey of ethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate?
The InChIKey is CKZBJAURVFZWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O5/c1-2-24-15(21)18-12-8-10(19(22)23)4-5-11(12)17-13-7-9(16)3-6-14(13)20/h3-8,17,20H,2H2,1H3,(H,18,21).
What are the key properties of ethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate?
ethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate has a molecular weight of 351.75 g/mol, XLogP of 4.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate is sourced from PubChem (CID 19771102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).