2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate

C17H16ClNO4 — CID 19169303

IUPAC2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate
SMILESCOCCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H16ClNO4/c1-22-9-10-23-17(21)12-5-7-15(8-6-12)19-16(20)13-3-2-4-14(18)11-13/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyMHBQNIHVKVFXSP-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.40
Rot. Bonds6

About 2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate

2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate (PubChem CID 19169303) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is 2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate.

Molecular Properties

Compound Name2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate
PubChem CID19169303
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate
SMILESCOCCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H16ClNO4/c1-22-9-10-23-17(21)12-5-7-15(8-6-12)19-16(20)13-3-2-4-14(18)11-13/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyMHBQNIHVKVFXSP-UHFFFAOYSA-N
XLogP3.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
CID 25219116
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702
ethyl 4-[[3-(2-methoxyethylcarbamoyl)benzoyl]amino]benzoate
CID 109052641
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
N-[4-(4-acetylanilino)phenyl]-3-chlorobenzamide
CID 112988228
2-ethoxyethyl 4-[(3-chlorophenyl)carbamoylamino]benzoate
CID 19171666
2-methoxyethyl 6-[4-[(3-chlorobenzoyl)amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 3941271
3-chloro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46879470
ethyl 4-[[3-(methoxymethyl)benzoyl]amino]benzoate
CID 51200273
N-[4-(tert-butylcarbamoyl)phenyl]-3-chlorobenzamide
CID 17199504
2-methoxyethyl 4-[(3,5-dinitrobenzoyl)amino]benzoate
CID 19169304

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate?
The IUPAC name of 2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate (CID 19169303) is 2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate.
What is the SMILES notation for 2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate?
The canonical SMILES for 2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate is COCCOC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate?
The InChIKey is MHBQNIHVKVFXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-22-9-10-23-17(21)12-5-7-15(8-6-12)19-16(20)13-3-2-4-14(18)11-13/h2-8,11H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate?
2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate has a molecular weight of 333.77 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-[(3-chlorobenzoyl)amino]benzoate is sourced from PubChem (CID 19169303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).