N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide

C19H18FNO — CID 90548192

IUPACN-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC#Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H18FNO/c1-2-18(16-8-4-3-5-9-16)19(22)21-14-6-7-15-10-12-17(20)13-11-15/h3-5,8-13,18H,2,14H2,1H3,(H,21,22)
InChIKeyGKLMHOVDYIPODB-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.49
Rot. Bonds4

About N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide

N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide (PubChem CID 90548192) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide
PubChem CID90548192
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC NameN-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide
SMILESCCC(C(=O)NCC#Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H18FNO/c1-2-18(16-8-4-3-5-9-16)19(22)21-14-6-7-15-10-12-17(20)13-11-15/h3-5,8-13,18H,2,14H2,1H3,(H,21,22)
InChIKeyGKLMHOVDYIPODB-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-fluorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 120528828
(2S)-N-[4-[benzyl(methyl)amino]but-2-ynyl]-2-phenylbutanamide
CID 95985585
(2R)-N-[4-[benzyl(methyl)amino]but-2-ynyl]-2-phenylbutanamide
CID 95985586
(2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide
CID 95583434
4-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120513410
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
N-[3-(4-fluorophenyl)prop-2-ynyl]-4-oxo-4-phenylbutanamide
CID 90548026
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-phenylbutanamide
CID 122262795
2-(4-fluorophenyl)-5-phenylpent-4-ynoic acid
CID 79434382
2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide
CID 110353349
N-[3-(4-fluorophenyl)prop-2-ynyl]pentanamide
CID 90548082
(2S)-N-(3,5-difluorophenyl)-2-phenylbutanamide
CID 7369071

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide?
The IUPAC name of N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide (CID 90548192) is N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide?
The canonical SMILES for N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide is CCC(C(=O)NCC#Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide?
The InChIKey is GKLMHOVDYIPODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO/c1-2-18(16-8-4-3-5-9-16)19(22)21-14-6-7-15-10-12-17(20)13-11-15/h3-5,8-13,18H,2,14H2,1H3,(H,21,22).
What are the key properties of N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide?
N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide has a molecular weight of 295.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide is sourced from PubChem (CID 90548192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).