ethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate

C17H18ClNO2 — CID 20516641

IUPACethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate
SMILESCCOC(=O)c1ccc(NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-2-21-17(20)14-5-9-16(10-6-14)19-12-11-13-3-7-15(18)8-4-13/h3-10,19H,2,11-12H2,1H3
InChIKeyKOOXLSZRSRGFGX-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.17
Rot. Bonds6

About ethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate

ethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate (PubChem CID 20516641) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is ethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate
PubChem CID20516641
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Nameethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate
SMILESCCOC(=O)c1ccc(NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-2-21-17(20)14-5-9-16(10-6-14)19-12-11-13-3-7-15(18)8-4-13/h3-10,19H,2,11-12H2,1H3
InChIKeyKOOXLSZRSRGFGX-UHFFFAOYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate
CID 112984125
ethyl 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzoate
CID 12945833
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671
(4-chlorophenyl)methyl 4-(2-hydroxyethylamino)benzoate
CID 63221701
ethyl 2-[2-(4-chlorophenyl)ethylamino]cyclohexene-1-carboxylate
CID 71499746
ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 8885490
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide
CID 112984106
ethyl 4-[[3-(2,4-dichloroanilino)-3-oxopropyl]amino]benzoate
CID 109042450
ethyl 4-(2-hydroxyethyl)benzoate
CID 23020689
ethyl 4-[[3-[2-(4-fluorophenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948485
methyl 4-(2-phenylethylamino)benzoate
CID 43217242
ethyl 4-[[3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzoate
CID 781815

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate?
The IUPAC name of ethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate (CID 20516641) is ethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate.
What is the SMILES notation for ethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate?
The canonical SMILES for ethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate is CCOC(=O)c1ccc(NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate?
The InChIKey is KOOXLSZRSRGFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-2-21-17(20)14-5-9-16(10-6-14)19-12-11-13-3-7-15(18)8-4-13/h3-10,19H,2,11-12H2,1H3.
What are the key properties of ethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate?
ethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate has a molecular weight of 303.79 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate is sourced from PubChem (CID 20516641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).