N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide

C18H20FN3O2 — CID 54836956

IUPACN-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O2/c1-2-3-17(23)21-16-10-8-14(9-11-16)20-12-18(24)22-15-6-4-13(19)5-7-15/h4-11,20H,2-3,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyUCBRYPJRRMTCSR-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.61
Rot. Bonds7

About N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide

N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide (PubChem CID 54836956) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide
PubChem CID54836956
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(NCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C18H20FN3O2/c1-2-3-17(23)21-16-10-8-14(9-11-16)20-12-18(24)22-15-6-4-13(19)5-7-15/h4-11,20H,2-3,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyUCBRYPJRRMTCSR-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(4-methylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837141
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242
N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide
CID 54809172
2-(4-fluoroanilino)-N-(4-propoxyphenyl)acetamide
CID 54811098
4-[[2-(4-fluoroanilino)acetyl]amino]-N-propylbenzamide
CID 54813322
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]-3-methylbutanamide
CID 54813431
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
4-[[2-[4-(butanoylamino)anilino]acetyl]amino]-N,N-dimethylbenzamide
CID 54837212
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-(4-fluorophenyl)-2-(propylamino)acetamide
CID 28586343
N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54836962
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide?
The IUPAC name of N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide (CID 54836956) is N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide?
The canonical SMILES for N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide is CCCC(=O)Nc1ccc(NCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide?
The InChIKey is UCBRYPJRRMTCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-2-3-17(23)21-16-10-8-14(9-11-16)20-12-18(24)22-15-6-4-13(19)5-7-15/h4-11,20H,2-3,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide?
N-[4-[[2-(4-fluoroanilino)-2-oxoethyl]amino]phenyl]butanamide has a molecular weight of 329.38 g/mol, XLogP of 3.61, 7 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)-2-oxoethyl]amino]phenyl]butanamide is sourced from PubChem (CID 54836956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).