N-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide

C17H24FNO — CID 86985273

IUPACN-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCN(C(=O)CCc1ccccc1F)C1CC1
InChIInChI=1S/C17H24FNO/c1-13(2)11-12-19(15-8-9-15)17(20)10-7-14-5-3-4-6-16(14)18/h3-6,13,15H,7-12H2,1-2H3
InChIKeyVULVNIPKENHEGQ-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.80
Rot. Bonds7

About N-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide

N-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide (PubChem CID 86985273) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is N-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide
PubChem CID86985273
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC NameN-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCN(C(=O)CCc1ccccc1F)C1CC1
InChIInChI=1S/C17H24FNO/c1-13(2)11-12-19(15-8-9-15)17(20)10-7-14-5-3-4-6-16(14)18/h3-6,13,15H,7-12H2,1-2H3
InChIKeyVULVNIPKENHEGQ-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide
CID 82012605
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide
CID 94158892
N-cyclopropyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 78850523
2-bromo-N-cyclopropyl-N-(3-methylbutyl)acetamide
CID 63679316
4-amino-N-cyclopropyl-N-(3-methylbutyl)butanamide;hydrochloride
CID 119292359
N-(3-aminopropyl)-N-cyclopropyl-2-(2-fluorophenyl)acetamide
CID 43136756
N-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 86924480
1-[cyclopropyl(2-methylpropyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 55002178
2-[cyclopropyl-[3-(2,3-difluorophenyl)propanoyl]amino]propanoic acid
CID 119202832
6-amino-N-cyclopropyl-N-(3-methylbutyl)hexanamide
CID 54870672
N-cyclopropyl-N-(3-methylbutyl)-2-(4-sulfanylphenyl)acetamide
CID 107026531

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide?
The IUPAC name of N-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide (CID 86985273) is N-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide is CC(C)CCN(C(=O)CCc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide?
The InChIKey is VULVNIPKENHEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-13(2)11-12-19(15-8-9-15)17(20)10-7-14-5-3-4-6-16(14)18/h3-6,13,15H,7-12H2,1-2H3.
What are the key properties of N-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide?
N-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide has a molecular weight of 277.38 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(2-fluorophenyl)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 86985273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).