ethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate

C17H16Cl2N2O3 — CID 141067849

IUPACethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
SMILESCCOC(=O)C(C)c1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O3/c1-3-24-17(23)10(2)11-4-6-12(7-5-11)21-16(22)15-13(18)8-20-9-14(15)19/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyCOJSZSQZJRUUAN-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.31
Rot. Bonds5

About ethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate

ethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate (PubChem CID 141067849) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is ethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
PubChem CID141067849
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Nameethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
SMILESCCOC(=O)C(C)c1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1
InChIInChI=1S/C17H16Cl2N2O3/c1-3-24-17(23)10(2)11-4-6-12(7-5-11)21-16(22)15-13(18)8-20-9-14(15)19/h4-10H,3H2,1-2H3,(H,21,22)
InChIKeyCOJSZSQZJRUUAN-UHFFFAOYSA-N
XLogP4.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethylpropyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
CID 141067812
2,3-dihydroxypropyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
CID 141067803
cyclopentyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
CID 141067805
oxolan-2-ylmethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
CID 141067831
ethyl (2S)-2-[(6-chloropyrimidin-4-yl)amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
CID 12986828
ethyl 2-[[5-chloro-4-(1-sulfanylpropyl)-2-pyridinyl]amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
CID 87940796
ethyl 2-[(2-chloro-3-pyridinyl)amino]-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate
CID 87826090
ethyl (2S)-3-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]-2-[(3-oxocyclohexen-1-yl)amino]propanoate
CID 69375736
ethyl (2R)-2-(6-chloro-3-pyridinyl)propanoate
CID 124564561
[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 70130588
2-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoic acid
CID 13059785
3,5-dichloro-N-(4-formylphenyl)pyridine-4-carboxamide
CID 22601370

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate?
The IUPAC name of ethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate (CID 141067849) is ethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate.
What is the SMILES notation for ethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate?
The canonical SMILES for ethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate is CCOC(=O)C(C)c1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1.
What is the InChIKey of ethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate?
The InChIKey is COJSZSQZJRUUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-3-24-17(23)10(2)11-4-6-12(7-5-11)21-16(22)15-13(18)8-20-9-14(15)19/h4-10H,3H2,1-2H3,(H,21,22).
What are the key properties of ethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate?
ethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate has a molecular weight of 367.23 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(3,5-dichloropyridine-4-carbonyl)amino]phenyl]propanoate is sourced from PubChem (CID 141067849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).