4-chloro-2-[(2-fluorobenzoyl)amino]-N-propylbenzamide

C17H16ClFN2O2 — CID 44577424

IUPAC4-chloro-2-[(2-fluorobenzoyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C17H16ClFN2O2/c1-2-9-20-16(22)13-8-7-11(18)10-15(13)21-17(23)12-5-3-4-6-14(12)19/h3-8,10H,2,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyNXDZCSKUOVYSSB-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.87
Rot. Bonds5

About 4-chloro-2-[(2-fluorobenzoyl)amino]-N-propylbenzamide

4-chloro-2-[(2-fluorobenzoyl)amino]-N-propylbenzamide (PubChem CID 44577424) has the molecular formula C17H16ClFN2O2 and a molecular weight of 334.78 g/mol. Its IUPAC name is 4-chloro-2-[(2-fluorobenzoyl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[(2-fluorobenzoyl)amino]-N-propylbenzamide
PubChem CID44577424
Molecular FormulaC17H16ClFN2O2
Molecular Weight334.78 g/mol
Exact Mass334.09
IUPAC Name4-chloro-2-[(2-fluorobenzoyl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C17H16ClFN2O2/c1-2-9-20-16(22)13-8-7-11(18)10-15(13)21-17(23)12-5-3-4-6-14(12)19/h3-8,10H,2,9H2,1H3,(H,20,22)(H,21,23)
InChIKeyNXDZCSKUOVYSSB-UHFFFAOYSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 97387
Clobenzepam
CID 14396
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CID 2807156
Clanfenur
CID 68684
Acetamide, 2-(acetylamino)-N-(2-benzoyl-4-chlorophenyl)-
CID 200017
1-(4-Chlorophenyl)-3-(4-ethylanilino)-1-propanone
CID 2060430
2-amino-N-(3-chlorophenyl)benzamide
CID 720859
N-(3-chlorophenyl)-3-fluorobenzamide
CID 532008
4-chloro-N-(3-chlorophenyl)benzamide
CID 346674
N-(2-(3-((2S,5R)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10003548
N-(2-(3-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10456104
N-[5-Chloro-2-[(1E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-3-oxo-1-propen-1-YL]phenyl]-acetamide
CID 11743399

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-fluorobenzoyl)amino]-N-propylbenzamide?
The IUPAC name of 4-chloro-2-[(2-fluorobenzoyl)amino]-N-propylbenzamide (CID 44577424) is 4-chloro-2-[(2-fluorobenzoyl)amino]-N-propylbenzamide.
What is the SMILES notation for 4-chloro-2-[(2-fluorobenzoyl)amino]-N-propylbenzamide?
The canonical SMILES for 4-chloro-2-[(2-fluorobenzoyl)amino]-N-propylbenzamide is CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1F.
What is the InChIKey of 4-chloro-2-[(2-fluorobenzoyl)amino]-N-propylbenzamide?
The InChIKey is NXDZCSKUOVYSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2/c1-2-9-20-16(22)13-8-7-11(18)10-15(13)21-17(23)12-5-3-4-6-14(12)19/h3-8,10H,2,9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-chloro-2-[(2-fluorobenzoyl)amino]-N-propylbenzamide?
4-chloro-2-[(2-fluorobenzoyl)amino]-N-propylbenzamide has a molecular weight of 334.78 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-fluorobenzoyl)amino]-N-propylbenzamide is sourced from PubChem (CID 44577424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).