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

C17H19ClN2O2 — CID 112984125

IUPACethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-2-22-17(21)20-16-9-7-15(8-10-16)19-12-11-13-3-5-14(18)6-4-13/h3-10,19H,2,11-12H2,1H3,(H,20,21)
InChIKeyBODXZFMWXGJSCQ-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.56
Rot. Bonds6

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

ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate (PubChem CID 112984125) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate
PubChem CID112984125
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Nameethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-2-22-17(21)20-16-9-7-15(8-10-16)19-12-11-13-3-5-14(18)6-4-13/h3-10,19H,2,11-12H2,1H3,(H,20,21)
InChIKeyBODXZFMWXGJSCQ-UHFFFAOYSA-N
XLogP4.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(4-chlorophenyl)ethylamino]benzoate
CID 20516641
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]butanamide
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CID 13021625
ethyl N-[4-[[1-(4-chloroanilino)-1-oxopropan-2-yl]amino]phenyl]carbamate
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ethyl N-[4-(2-phenylethylcarbamoylamino)phenyl]carbamate
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ethyl N-[4-[(4-bromophenyl)methylamino]phenyl]carbamate
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2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethylphenyl)acetamide
CID 109002843
N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]-2-phenoxyacetamide
CID 112984120
ethyl N-[4-[(3-amino-5-chloroanilino)methyl]phenyl]carbamate
CID 140554980
ethyl N-(4-tert-butylphenyl)carbamate
CID 20519065
tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate
CID 112983477
ethyl N-[3-[(4-chlorophenyl)carbamoyl]phenyl]carbamate
CID 26688111

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate (CID 112984125) is ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate is CCOC(=O)Nc1ccc(NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate?
The InChIKey is BODXZFMWXGJSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-2-22-17(21)20-16-9-7-15(8-10-16)19-12-11-13-3-5-14(18)6-4-13/h3-10,19H,2,11-12H2,1H3,(H,20,21).
What are the key properties of ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate?
ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate has a molecular weight of 318.80 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[2-(4-chlorophenyl)ethylamino]phenyl]carbamate is sourced from PubChem (CID 112984125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).