ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate

C16H15ClN2O3 — CID 26688111

IUPACethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O3/c1-2-22-16(21)19-14-5-3-4-11(10-14)15(20)18-13-8-6-12(17)7-9-13/h3-10H,2H2,1H3,(H,18,20)(H,19,21)
InChIKeyQIASTSKAHHJMCD-UHFFFAOYSA-N
MW318.76 g/mol
LogP4.16
Rot. Bonds4

About ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate

ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate (PubChem CID 26688111) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
PubChem CID26688111
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Nameethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H15ClN2O3/c1-2-22-16(21)19-14-5-3-4-11(10-14)15(20)18-13-8-6-12(17)7-9-13/h3-10H,2H2,1H3,(H,18,20)(H,19,21)
InChIKeyQIASTSKAHHJMCD-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 N-[3-[(4-chlorophenyl)carbamoyl]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

ethyl N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9206955
ethyl N-[3-[(4-phenylphenyl)carbamoyl]phenyl]carbamate
CID 46580788
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
CID 110178338
ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate
CID 13021625
ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate
CID 9210948
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-[3-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl]carbamate
CID 9270970
2-[(3-bromobenzoyl)amino]ethyl N-(4-chlorophenyl)carbamate
CID 3253612
ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate
CID 17415342
ethyl N-[3-(pentylcarbamoyl)phenyl]carbamate
CID 17407696
ethyl N-[3-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]carbamate
CID 17427553
methyl 3-[4-(ethoxycarbonylamino)anilino]benzoate
CID 112988523

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate (CID 26688111) is ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate is CCOC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate?
The InChIKey is QIASTSKAHHJMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-2-22-16(21)19-14-5-3-4-11(10-14)15(20)18-13-8-6-12(17)7-9-13/h3-10H,2H2,1H3,(H,18,20)(H,19,21).
What are the key properties of ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate?
ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate 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 N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 26688111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).