N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide

C20H24FN3O2 — CID 42926088

IUPACN-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide
SMILESCCC(Nc1ccc(NC(=O)C(C)C)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H24FN3O2/c1-4-18(20(26)24-16-7-5-14(21)6-8-16)22-15-9-11-17(12-10-15)23-19(25)13(2)3/h5-13,18,22H,4H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyUXLOKDQURWQBFE-UHFFFAOYSA-N
MW357.43 g/mol
LogP4.25
Rot. Bonds7

About N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide

N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide (PubChem CID 42926088) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide
PubChem CID42926088
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide
SMILESCCC(Nc1ccc(NC(=O)C(C)C)cc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H24FN3O2/c1-4-18(20(26)24-16-7-5-14(21)6-8-16)22-15-9-11-17(12-10-15)23-19(25)13(2)3/h5-13,18,22H,4H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyUXLOKDQURWQBFE-UHFFFAOYSA-N
XLogP4.25
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
CID 43683753
(2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide
CID 37309732
2-methyl-N-[4-(3-methylpentan-2-ylamino)phenyl]propanamide
CID 43683718
3-chloro-2-methyl-N-[4-(2-methylpropanoylamino)phenyl]propanamide
CID 55111079
2-chloro-N-(4-fluorophenyl)propanamide
CID 532266
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345
3-cyano-N-(4-fluorophenyl)-2-methylpropanamide
CID 82112843
ethyl 3-(4-fluoroanilino)-2-methyl-3-oxopropanoate
CID 67507786
trifluoro-[4-(2-methylpropanoylamino)phenyl]boranuide
CID 75176087
3-(4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 67508161

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide (CID 42926088) is N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide is CCC(Nc1ccc(NC(=O)C(C)C)cc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide?
The InChIKey is UXLOKDQURWQBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-4-18(20(26)24-16-7-5-14(21)6-8-16)22-15-9-11-17(12-10-15)23-19(25)13(2)3/h5-13,18,22H,4H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide?
N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide has a molecular weight of 357.43 g/mol, XLogP of 4.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(2-methylpropanoylamino)anilino]butanamide is sourced from PubChem (CID 42926088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).