ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate

C16H14ClNO3 — CID 13021625

IUPACethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO3/c1-2-21-16(20)18-14-9-5-12(6-10-14)15(19)11-3-7-13(17)8-4-11/h3-10H,2H2,1H3,(H,18,20)
InChIKeyGEOQIDHNQRRSKX-UHFFFAOYSA-N
MW303.75 g/mol
LogP4.14
Rot. Bonds4

About ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate

ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate (PubChem CID 13021625) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate
PubChem CID13021625
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Nameethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO3/c1-2-21-16(20)18-14-9-5-12(6-10-14)15(19)11-3-7-13(17)8-4-11/h3-10H,2H2,1H3,(H,18,20)
InChIKeyGEOQIDHNQRRSKX-UHFFFAOYSA-N
XLogP4.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl N-[4-(4-chlorobenzoyl)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-chlorophenyl)carbamoyl]phenyl]carbamate
CID 26688111
ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate
CID 112984125
ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 60542440
2-[4-(ethoxycarbonylamino)benzoyl]benzoic acid
CID 59081765
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598
ethyl N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9206955
ethyl (Z)-3-(4-chloroanilino)-3-(4-chlorophenyl)prop-2-enoate
CID 100940925
ethyl N-[4-[[2-(2,5-dichloroanilino)-2-oxoethyl]carbamoyl]phenyl]carbamate
CID 9152510
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
ethyl N-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]carbamate
CID 621078
ethyl N-[4-(1,2,2-tricyanoethenylamino)phenyl]carbamate
CID 168606743
ethyl N-[3-[[4-(ethoxycarbonylamino)benzoyl]amino]phenyl]carbamate
CID 110178338

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate (CID 13021625) is ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate?
The InChIKey is GEOQIDHNQRRSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-2-21-16(20)18-14-9-5-12(6-10-14)15(19)11-3-7-13(17)8-4-11/h3-10H,2H2,1H3,(H,18,20).
What are the key properties of ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate?
ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate has a molecular weight of 303.75 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(4-chlorobenzoyl)phenyl]carbamate is sourced from PubChem (CID 13021625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).