ethyl 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]propanoate

C16H17ClN2O3 — CID 141431371

IUPACethyl 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]propanoate
SMILESCCOC(=O)C(C)Nc1ccc(Oc2ccc(Cl)cn2)cc1
InChIInChI=1S/C16H17ClN2O3/c1-3-21-16(20)11(2)19-13-5-7-14(8-6-13)22-15-9-4-12(17)10-18-15/h4-11,19H,3H2,1-2H3
InChIKeyBDLRVKUONPSHAB-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.89
Rot. Bonds6

About ethyl 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]propanoate

ethyl 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]propanoate (PubChem CID 141431371) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is ethyl 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]propanoate
PubChem CID141431371
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Nameethyl 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]propanoate
SMILESCCOC(=O)C(C)Nc1ccc(Oc2ccc(Cl)cn2)cc1
InChIInChI=1S/C16H17ClN2O3/c1-3-21-16(20)11(2)19-13-5-7-14(8-6-13)22-15-9-4-12(17)10-18-15/h4-11,19H,3H2,1-2H3
InChIKeyBDLRVKUONPSHAB-UHFFFAOYSA-N
XLogP3.89
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]-N-cyclopropylpropanamide
CID 71925015
3-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-methylbutanamide
CID 120503351
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-2-ethoxyacetamide
CID 71994232
5-chloro-2-(4-ethoxyphenoxy)pyridine
CID 66234109
2-methylpropyl (2S)-2-(4-chloroanilino)propanoate
CID 54074575
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757
5-chloro-2-(4-propan-2-ylphenoxy)pyridine
CID 66234556
ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate
CID 102824081
ethyl 2-(4-acetylanilino)propanoate
CID 62004850
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
1-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]cyclopentane-1-carboxamide
CID 119864117
ethyl 2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate
CID 118176629

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]propanoate?
The IUPAC name of ethyl 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]propanoate (CID 141431371) is ethyl 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]propanoate.
What is the SMILES notation for ethyl 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]propanoate?
The canonical SMILES for ethyl 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]propanoate is CCOC(=O)C(C)Nc1ccc(Oc2ccc(Cl)cn2)cc1.
What is the InChIKey of ethyl 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]propanoate?
The InChIKey is BDLRVKUONPSHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-3-21-16(20)11(2)19-13-5-7-14(8-6-13)22-15-9-4-12(17)10-18-15/h4-11,19H,3H2,1-2H3.
What are the key properties of ethyl 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]propanoate?
ethyl 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]propanoate has a molecular weight of 320.78 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(5-chloro-2-pyridinyl)oxy]anilino]propanoate is sourced from PubChem (CID 141431371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).