N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide

C17H18FN3O2 — CID 54813242

IUPACN-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FN3O2/c1-2-16(22)20-14-7-9-15(10-8-14)21-17(23)11-19-13-5-3-12(18)4-6-13/h3-10,19H,2,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyHZOBXHGPCWKFFZ-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.22
Rot. Bonds6

About N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide

N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide (PubChem CID 54813242) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
PubChem CID54813242
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CNc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FN3O2/c1-2-16(22)20-14-7-9-15(10-8-14)21-17(23)11-19-13-5-3-12(18)4-6-13/h3-10,19H,2,11H2,1H3,(H,20,22)(H,21,23)
InChIKeyHZOBXHGPCWKFFZ-UHFFFAOYSA-N
XLogP3.22
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836956
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54813431
2-(4-fluoroanilino)-N-(4-propoxyphenyl)acetamide
CID 54811098
4-[[2-(4-fluoroanilino)acetyl]amino]-N-propylbenzamide
CID 54813322
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665
N-[4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835369
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide (CID 54813242) is N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(=O)CNc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide?
The InChIKey is HZOBXHGPCWKFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-2-16(22)20-14-7-9-15(10-8-14)21-17(23)11-19-13-5-3-12(18)4-6-13/h3-10,19H,2,11H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide?
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide has a molecular weight of 315.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 54813242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).