2-(4-fluoroanilino)-N-(1-phenylbutyl)propanamide

C19H23FN2O — CID 134030963

IUPAC2-(4-fluoroanilino)-N-(1-phenylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H23FN2O/c1-3-7-18(15-8-5-4-6-9-15)22-19(23)14(2)21-17-12-10-16(20)11-13-17/h4-6,8-14,18,21H,3,7H2,1-2H3,(H,22,23)
InChIKeyDUJQNYHUSPSUDB-UHFFFAOYSA-N
MW314.40 g/mol
LogP4.28
Rot. Bonds7

About 2-(4-fluoroanilino)-N-(1-phenylbutyl)propanamide

2-(4-fluoroanilino)-N-(1-phenylbutyl)propanamide (PubChem CID 134030963) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-N-(1-phenylbutyl)propanamide.

Molecular Properties

Compound Name2-(4-fluoroanilino)-N-(1-phenylbutyl)propanamide
PubChem CID134030963
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name2-(4-fluoroanilino)-N-(1-phenylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)Nc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H23FN2O/c1-3-7-18(15-8-5-4-6-9-15)22-19(23)14(2)21-17-12-10-16(20)11-13-17/h4-6,8-14,18,21H,3,7H2,1-2H3,(H,22,23)
InChIKeyDUJQNYHUSPSUDB-UHFFFAOYSA-N
XLogP4.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
CID 2466708
[2-(4-fluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]azanium
CID 9348221
2-(4-fluoroanilino)-N-propylpropanamide
CID 43086796
2-[ethyl(methyl)amino]-N-(1-phenylbutyl)propanamide
CID 60516767
N-(4-fluorophenyl)-2-[4-[2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl]piperazin-1-yl]acetamide
CID 8719392
2-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-N-(1-phenylbutyl)propanamide
CID 42935065
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide
CID 55682595
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345
1-phenylbutylurea
CID 2852079
4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-N-(1-phenylbutyl)propanamide?
The IUPAC name of 2-(4-fluoroanilino)-N-(1-phenylbutyl)propanamide (CID 134030963) is 2-(4-fluoroanilino)-N-(1-phenylbutyl)propanamide.
What is the SMILES notation for 2-(4-fluoroanilino)-N-(1-phenylbutyl)propanamide?
The canonical SMILES for 2-(4-fluoroanilino)-N-(1-phenylbutyl)propanamide is CCCC(NC(=O)C(C)Nc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-(4-fluoroanilino)-N-(1-phenylbutyl)propanamide?
The InChIKey is DUJQNYHUSPSUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-3-7-18(15-8-5-4-6-9-15)22-19(23)14(2)21-17-12-10-16(20)11-13-17/h4-6,8-14,18,21H,3,7H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-fluoroanilino)-N-(1-phenylbutyl)propanamide?
2-(4-fluoroanilino)-N-(1-phenylbutyl)propanamide has a molecular weight of 314.40 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-N-(1-phenylbutyl)propanamide is sourced from PubChem (CID 134030963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).