N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide

C16H14ClFN2O2 — CID 108538189

IUPACN-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
SMILESO=C(NCCNC(=O)c1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C16H14ClFN2O2/c17-13-7-3-1-5-11(13)15(21)19-9-10-20-16(22)12-6-2-4-8-14(12)18/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyIKIJCIYSWUOIKA-UHFFFAOYSA-N
MW320.75 g/mol
LogP2.64
Rot. Bonds5

About N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide

N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide (PubChem CID 108538189) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
PubChem CID108538189
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC NameN-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
SMILESO=C(NCCNC(=O)c1ccccc1Cl)c1ccccc1F
InChIInChI=1S/C16H14ClFN2O2/c17-13-7-3-1-5-11(13)15(21)19-9-10-20-16(22)12-6-2-4-8-14(12)18/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyIKIJCIYSWUOIKA-UHFFFAOYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 35930552
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 673830
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 111452346
N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
CID 47337929
N-[2-(4-chlorobutanoylamino)ethyl]-2-fluorobenzamide
CID 108570802
N-[2-[[2-(3-bromo-4-fluorophenyl)acetyl]amino]ethyl]-2-chlorobenzamide
CID 55885659
2-chloro-N-(4-chlorobutyl)benzamide
CID 106845467
2-fluoro-N-[2-[[2-(methylamino)acetyl]amino]ethyl]benzamide
CID 119742065
5-bromo-2-chloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 55659264

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide (CID 108538189) is N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide is O=C(NCCNC(=O)c1ccccc1Cl)c1ccccc1F.
What is the InChIKey of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide?
The InChIKey is IKIJCIYSWUOIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c17-13-7-3-1-5-11(13)15(21)19-9-10-20-16(22)12-6-2-4-8-14(12)18/h1-8H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide?
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide has a molecular weight of 320.75 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide is sourced from PubChem (CID 108538189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).