ethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate

C17H16ClN3O5 — CID 121302791

IUPACethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate
SMILESCCOC(=O)c1cc(OCC(=O)Nc2cnccc2C(N)=O)ccc1Cl
InChIInChI=1S/C17H16ClN3O5/c1-2-25-17(24)12-7-10(3-4-13(12)18)26-9-15(22)21-14-8-20-6-5-11(14)16(19)23/h3-8H,2,9H2,1H3,(H2,19,23)(H,21,22)
InChIKeyCPDCQBCVLNPAQQ-UHFFFAOYSA-N
MW377.78 g/mol
LogP2.03
Rot. Bonds7

About ethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate

ethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate (PubChem CID 121302791) has the molecular formula C17H16ClN3O5 and a molecular weight of 377.78 g/mol. Its IUPAC name is ethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate.

Molecular Properties

Compound Nameethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate
PubChem CID121302791
Molecular FormulaC17H16ClN3O5
Molecular Weight377.78 g/mol
Exact Mass377.08
IUPAC Nameethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate
SMILESCCOC(=O)c1cc(OCC(=O)Nc2cnccc2C(N)=O)ccc1Cl
InChIInChI=1S/C17H16ClN3O5/c1-2-25-17(24)12-7-10(3-4-13(12)18)26-9-15(22)21-14-8-20-6-5-11(14)16(19)23/h3-8H,2,9H2,1H3,(H2,19,23)(H,21,22)
InChIKeyCPDCQBCVLNPAQQ-UHFFFAOYSA-N
XLogP2.03
TPSA120.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-chloro-4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]benzoate
CID 99952962
2-(4-chlorophenoxy)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826553
ethyl 4-[[2-(4-bromophenoxy)acetyl]amino]-2-chlorobenzoate
CID 92677982
ethyl 3-(2,2-dimethylpropanoylamino)pyridine-4-carboxylate
CID 139270358
ethyl 5-chloro-4-[[2-(4-ethylphenoxy)acetyl]amino]-2-methoxybenzoate
CID 19227636
ethyl 3-[(4-ethoxycarbonyl-2,5-dihydroxybenzoyl)amino]pyridine-4-carboxylate
CID 156760612
N-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide
CID 60999928
N-(4-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide
CID 60999929
3-chloro-N-(4-ethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 66465000
ethyl 2-[2-(3,4-dichloroanilino)-2-oxoethoxy]benzoate
CID 7694682
N-(5-bromo-2-pyridinyl)-2-(4-chloro-3-methylphenoxy)acetamide
CID 1224606
ethyl 5-chloro-2-pyridin-3-ylpyridine-4-carboxylate
CID 46317829

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate?
The IUPAC name of ethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate (CID 121302791) is ethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate.
What is the SMILES notation for ethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate?
The canonical SMILES for ethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate is CCOC(=O)c1cc(OCC(=O)Nc2cnccc2C(N)=O)ccc1Cl.
What is the InChIKey of ethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate?
The InChIKey is CPDCQBCVLNPAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O5/c1-2-25-17(24)12-7-10(3-4-13(12)18)26-9-15(22)21-14-8-20-6-5-11(14)16(19)23/h3-8H,2,9H2,1H3,(H2,19,23)(H,21,22).
What are the key properties of ethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate?
ethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate has a molecular weight of 377.78 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-[(4-carbamoyl-3-pyridinyl)amino]-2-oxoethoxy]-2-chlorobenzoate is sourced from PubChem (CID 121302791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).