ethyl 2-[4-[(4-chlorophenyl)methylamino]phenyl]acetate

C17H18ClNO2 — CID 5127211

IUPACethyl 2-[4-[(4-chlorophenyl)methylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-2-21-17(20)11-13-5-9-16(10-6-13)19-12-14-3-7-15(18)8-4-14/h3-10,19H,2,11-12H2,1H3
InChIKeyZURBXKMAWOBNQY-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.06
Rot. Bonds6

About ethyl 2-[4-[(4-chlorophenyl)methylamino]phenyl]acetate

ethyl 2-[4-[(4-chlorophenyl)methylamino]phenyl]acetate (PubChem CID 5127211) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is ethyl 2-[4-[(4-chlorophenyl)methylamino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(4-chlorophenyl)methylamino]phenyl]acetate
PubChem CID5127211
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Nameethyl 2-[4-[(4-chlorophenyl)methylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-2-21-17(20)11-13-5-9-16(10-6-13)19-12-14-3-7-15(18)8-4-14/h3-10,19H,2,11-12H2,1H3
InChIKeyZURBXKMAWOBNQY-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Diclofenac Ethyl Ester
CID 11381728
3-(4-{[(3,4-Dichlorophenyl)methyl]amino}phenyl)propanoic acid
CID 24825490
{4-[(2-Chlorobenzyl)amino]phenyl}acetic acid
CID 5019661
3-[4-[(4-Chlorophenyl)methylamino]phenyl]propanoic acid
CID 20331242
(RS)-(4-pyrrolidin-3-yl-phenyl)-carbamic acid 2-(4-chloro-phenyl)-ethyl ester
CID 67240753
3-(4-{[(2-Chlorophenyl)methyl]amino}phenyl)propanoic acid
CID 24825495
Methyl {4-[(2-chlorobenzoyl)amino]phenyl}acetate
CID 892498
[2-(4-Methylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2335004
[2-(4-Ethylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2356404
Ethyl {4-[(4-chlorobenzyl)amino]phenyl}acetate
CID 16193432
[2-(2-Fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2344661
Methyl [4-({[(2-chlorobenzyl)amino]carbonothioyl}amino)phenyl]acetate
CID 899224

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(4-chlorophenyl)methylamino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[(4-chlorophenyl)methylamino]phenyl]acetate (CID 5127211) is ethyl 2-[4-[(4-chlorophenyl)methylamino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(4-chlorophenyl)methylamino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(4-chlorophenyl)methylamino]phenyl]acetate is CCOC(=O)Cc1ccc(NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl 2-[4-[(4-chlorophenyl)methylamino]phenyl]acetate?
The InChIKey is ZURBXKMAWOBNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-2-21-17(20)11-13-5-9-16(10-6-13)19-12-14-3-7-15(18)8-4-14/h3-10,19H,2,11-12H2,1H3.
What are the key properties of ethyl 2-[4-[(4-chlorophenyl)methylamino]phenyl]acetate?
ethyl 2-[4-[(4-chlorophenyl)methylamino]phenyl]acetate has a molecular weight of 303.79 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(4-chlorophenyl)methylamino]phenyl]acetate is sourced from PubChem (CID 5127211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).