3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide

C14H11Cl2N3O2 — CID 26592239

IUPAC3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1cccnc1
InChIInChI=1S/C14H11Cl2N3O2/c15-11-4-3-9(6-12(11)16)14(21)18-8-13(20)19-10-2-1-5-17-7-10/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyBIGNDXFIHUNTLI-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.76
Rot. Bonds4

About 3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide

3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide (PubChem CID 26592239) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
PubChem CID26592239
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1cccnc1
InChIInChI=1S/C14H11Cl2N3O2/c15-11-4-3-9(6-12(11)16)14(21)18-8-13(20)19-10-2-1-5-17-7-10/h1-7H,8H2,(H,18,21)(H,19,20)
InChIKeyBIGNDXFIHUNTLI-UHFFFAOYSA-N
XLogP2.76
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-[2-oxo-2-[3-(pyridin-3-ylmethoxy)anilino]ethyl]benzamide
CID 60520711
N-[2-oxo-2-(pyridin-3-ylamino)ethyl]-4-phenoxybenzamide
CID 4788207
3-nitro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide
CID 26591854
3,4-dichloro-N-[2-(2,6-dichloroanilino)-2-oxoethyl]benzamide
CID 113001415
3,4-dichloro-N-[2-oxo-2-(3-propan-2-ylanilino)ethyl]benzamide
CID 9293234
N-[2-(3-acetylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705505
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411502
N-[2-(3-bromoanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705521
3,4-dichloro-N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]benzamide
CID 42467160
N-[2-(4-methylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705464
2-[4-[[2-[(3,4-dichlorobenzoyl)amino]acetyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697471
3,4-dichloro-N-[2-oxo-2-[pyridin-3-ylmethyl(pyridin-4-ylmethyl)amino]ethyl]benzamide
CID 78813743

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide (CID 26592239) is 3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1cccnc1.
What is the InChIKey of 3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide?
The InChIKey is BIGNDXFIHUNTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c15-11-4-3-9(6-12(11)16)14(21)18-8-13(20)19-10-2-1-5-17-7-10/h1-7H,8H2,(H,18,21)(H,19,20).
What are the key properties of 3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide?
3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide has a molecular weight of 324.17 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]benzamide is sourced from PubChem (CID 26592239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).