3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide

C17H16ClFN2O2 — CID 78812366

IUPAC3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)NCCc1cccc(F)c1
InChIInChI=1S/C17H16ClFN2O2/c18-14-5-2-4-13(10-14)17(23)21-11-16(22)20-8-7-12-3-1-6-15(19)9-12/h1-6,9-10H,7-8,11H2,(H,20,22)(H,21,23)
InChIKeyYDGNLODMGNPYOV-UHFFFAOYSA-N
MW334.78 g/mol
LogP2.57
Rot. Bonds6

About 3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide

3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide (PubChem CID 78812366) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
PubChem CID78812366
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Cl)c1)NCCc1cccc(F)c1
InChIInChI=1S/C17H16ClFN2O2/c18-14-5-2-4-13(10-14)17(23)21-11-16(22)20-8-7-12-3-1-6-15(19)9-12/h1-6,9-10H,7-8,11H2,(H,20,22)(H,21,23)
InChIKeyYDGNLODMGNPYOV-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 78796639
3-chloro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 112993552
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 26463062
4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 41365353
N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 41365243
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
2-(3,4-dichlorophenyl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 9051916
4-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]butanoic acid
CID 43241156
2-chloro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 32695783
3-chloro-N-[2-oxo-2-[2-(1-phenylpyrazol-4-yl)ethylamino]ethyl]benzamide
CID 55504998
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide (CID 78812366) is 3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1cccc(Cl)c1)NCCc1cccc(F)c1.
What is the InChIKey of 3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is YDGNLODMGNPYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c18-14-5-2-4-13(10-14)17(23)21-11-16(22)20-8-7-12-3-1-6-15(19)9-12/h1-6,9-10H,7-8,11H2,(H,20,22)(H,21,23).
What are the key properties of 3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide?
3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 334.78 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 78812366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).