ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate

C17H18ClN3O3 — CID 47039627

IUPACethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClN3O3/c1-2-24-17(23)21-14-9-7-13(8-10-14)20-16(22)19-11-12-5-3-4-6-15(12)18/h3-10H,2,11H2,1H3,(H,21,23)(H2,19,20,22)
InChIKeyNYGHZYFXKOKTET-UHFFFAOYSA-N
MW347.80 g/mol
LogP4.23
Rot. Bonds5

About ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate

ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate (PubChem CID 47039627) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate
PubChem CID47039627
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Nameethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClN3O3/c1-2-24-17(23)21-14-9-7-13(8-10-14)20-16(22)19-11-12-5-3-4-6-15(12)18/h3-10H,2,11H2,1H3,(H,21,23)(H2,19,20,22)
InChIKeyNYGHZYFXKOKTET-UHFFFAOYSA-N
XLogP4.23
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]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

[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate
CID 108865473
ethyl N-[2-[(2-chlorophenyl)methylcarbamoylamino]ethyl]carbamate
CID 108897797
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea
CID 47033294
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea
CID 47192222
[3-[(2-chlorophenyl)methylamino]-2,2-dimethyl-3-oxopropyl] N-(4-chlorophenyl)carbamate
CID 139916496
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 3868161
ethyl N-[4-[(2-hydroxyphenyl)methylamino]phenyl]carbamate
CID 43703912
ethyl 3-[(2-chlorophenyl)methylamino]-3-oxopropanoate
CID 23404876
ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate
CID 47039610
ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 87009707

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate (CID 47039627) is ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate is CCOC(=O)Nc1ccc(NC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate?
The InChIKey is NYGHZYFXKOKTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-2-24-17(23)21-14-9-7-13(8-10-14)20-16(22)19-11-12-5-3-4-6-15(12)18/h3-10H,2,11H2,1H3,(H,21,23)(H2,19,20,22).
What are the key properties of ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate?
ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate has a molecular weight of 347.80 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate is sourced from PubChem (CID 47039627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).