ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate

C16H15ClN2O3 — CID 707725

IUPACethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O3/c1-2-22-15(20)13-8-3-4-9-14(13)19-16(21)18-12-7-5-6-11(17)10-12/h3-10H,2H2,1H3,(H2,18,19,21)
InChIKeyUZOYKUDNWKGNFE-UHFFFAOYSA-N
MW318.76 g/mol
LogP4.16
Rot. Bonds4

About ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate

ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate (PubChem CID 707725) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate
PubChem CID707725
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Nameethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C16H15ClN2O3/c1-2-22-15(20)13-8-3-4-9-14(13)19-16(21)18-12-7-5-6-11(17)10-12/h3-10H,2H2,1H3,(H2,18,19,21)
InChIKeyUZOYKUDNWKGNFE-UHFFFAOYSA-N
XLogP4.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate 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 2-[[3-(methylcarbamoylamino)phenyl]carbamoylamino]benzoate
CID 134104797
ethyl 2-[(4-chlorophenyl)carbamoylamino]benzoate
CID 787988
ethyl 2-(3-chloroanilino)benzoate
CID 70679381
1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea
CID 156854116
ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
CID 108991960
ethyl 2-[(3-nitrophenyl)carbamoylamino]benzoate
CID 127563201
ethyl 2-[(5-chloro-2-methoxyphenyl)carbamoylamino]benzoate
CID 972202
ethyl 2-[[6-[(3-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128721
ethyl N-[(3-chlorophenyl)carbamoylamino]carbamate
CID 5227471
ethyl 2-[[2-(3-chloroanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109316861
ethyl 2-[(4-ethoxyphenyl)carbamoylamino]benzoate
CID 108874271
ethyl 2-[(4-methoxycarbonylphenyl)carbamoylamino]benzoate
CID 108992396

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate?
The IUPAC name of ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate (CID 707725) is ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate.
What is the SMILES notation for ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate?
The canonical SMILES for ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate is CCOC(=O)c1ccccc1NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate?
The InChIKey is UZOYKUDNWKGNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-2-22-15(20)13-8-3-4-9-14(13)19-16(21)18-12-7-5-6-11(17)10-12/h3-10H,2H2,1H3,(H2,18,19,21).
What are the key properties of ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate?
ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate has a molecular weight of 318.76 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate is sourced from PubChem (CID 707725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).