N-(cyclobutylmethyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide

C17H20FNO2 — CID 62855704

IUPACN-(cyclobutylmethyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide
SMILESCN(CC1CCC1)C(=O)c1ccc(C#CCCO)cc1F
InChIInChI=1S/C17H20FNO2/c1-19(12-14-6-4-7-14)17(21)15-9-8-13(11-16(15)18)5-2-3-10-20/h8-9,11,14,20H,3-4,6-7,10,12H2,1H3
InChIKeyCLOWOTCJLDUMRW-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.43
Rot. Bonds4

About N-(cyclobutylmethyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide

N-(cyclobutylmethyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide (PubChem CID 62855704) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide
PubChem CID62855704
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-(cyclobutylmethyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide
SMILESCN(CC1CCC1)C(=O)c1ccc(C#CCCO)cc1F
InChIInChI=1S/C17H20FNO2/c1-19(12-14-6-4-7-14)17(21)15-9-8-13(11-16(15)18)5-2-3-10-20/h8-9,11,14,20H,3-4,6-7,10,12H2,1H3
InChIKeyCLOWOTCJLDUMRW-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
CID 94158144
2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60816903
[2-fluoro-4-(4-hydroxybut-1-ynyl)phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 60974766
N-butyl-N-ethyl-2-fluoro-4-(4-hydroxybut-1-ynyl)benzamide
CID 60817532
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-propan-2-ylbenzamide
CID 60816110
N-(cyclobutylmethyl)-2-fluoro-4-(3-hydroxyprop-1-ynyl)benzamide
CID 60816128
2-cyclobutyl-N-[[2-fluoro-5-(4-hydroxybut-1-ynyl)phenyl]methyl]acetamide
CID 103165231
N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878
2-fluoro-4-(4-hydroxybut-1-ynyl)-N-(thiolan-2-ylmethyl)benzamide
CID 80584238
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420
4-(3-aminoprop-1-ynyl)-N-ethyl-2-fluoro-N-methylbenzamide
CID 60821854
2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide?
The IUPAC name of N-(cyclobutylmethyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide (CID 62855704) is N-(cyclobutylmethyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide is CN(CC1CCC1)C(=O)c1ccc(C#CCCO)cc1F.
What is the InChIKey of N-(cyclobutylmethyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide?
The InChIKey is CLOWOTCJLDUMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-19(12-14-6-4-7-14)17(21)15-9-8-13(11-16(15)18)5-2-3-10-20/h8-9,11,14,20H,3-4,6-7,10,12H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide?
N-(cyclobutylmethyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide has a molecular weight of 289.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-fluoro-4-(4-hydroxybut-1-ynyl)-N-methylbenzamide is sourced from PubChem (CID 62855704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).