3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide

C18H20FN3O2 — CID 54818247

IUPAC3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)CNc2ccccc2F)c1
InChIInChI=1S/C18H20FN3O2/c1-2-10-20-18(24)13-6-5-7-14(11-13)22-17(23)12-21-16-9-4-3-8-15(16)19/h3-9,11,21H,2,10,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyAFMBOVUQPDYLSU-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.02
Rot. Bonds7

About 3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide

3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide (PubChem CID 54818247) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide
PubChem CID54818247
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)CNc2ccccc2F)c1
InChIInChI=1S/C18H20FN3O2/c1-2-10-20-18(24)13-6-5-7-14(11-13)22-17(23)12-21-16-9-4-3-8-15(16)19/h3-9,11,21H,2,10,12H2,1H3,(H,20,24)(H,22,23)
InChIKeyAFMBOVUQPDYLSU-UHFFFAOYSA-N
XLogP3.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]benzamide
CID 54834084
3-[[2-(3-acetylanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 52703555
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide
CID 54824294
3-[[2-(2-fluoroanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54818535
3-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
CID 54811111
3-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]amino]-N-propylbenzamide
CID 54838617
3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 46465371
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N-propylbenzamide
CID 54815949
3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54838924
3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54842410
3-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 54838861

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide (CID 54818247) is 3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)CNc2ccccc2F)c1.
What is the InChIKey of 3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide?
The InChIKey is AFMBOVUQPDYLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-2-10-20-18(24)13-6-5-7-14(11-13)22-17(23)12-21-16-9-4-3-8-15(16)19/h3-9,11,21H,2,10,12H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide?
3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide has a molecular weight of 329.38 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluoroanilino)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54818247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).