N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide

C14H18FNO — CID 60666172

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C14H18FNO/c1-2-5-14(17)16(12-8-9-12)10-11-6-3-4-7-13(11)15/h3-4,6-7,12H,2,5,8-10H2,1H3
InChIKeyVGOKWJBKJVARAQ-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.12
Rot. Bonds5

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide (PubChem CID 60666172) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
PubChem CID60666172
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
SMILESCCCC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C14H18FNO/c1-2-5-14(17)16(12-8-9-12)10-11-6-3-4-7-13(11)15/h3-4,6-7,12H,2,5,8-10H2,1H3
InChIKeyVGOKWJBKJVARAQ-UHFFFAOYSA-N
XLogP3.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 54869271
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 24524450
N-cyclopropyl-3-(cyclopropylamino)-N-[(2-fluorophenyl)methyl]propanamide
CID 60936622
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide
CID 82012605
N-cyclopropyl-2-(4-ethoxyphenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 134013750
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide
CID 75402782
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide
CID 78810506
N-cyclopropyl-N-[(2-fluorophenyl)methyl]but-2-enamide
CID 78911608
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 65229876

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide (CID 60666172) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide is CCCC(=O)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide?
The InChIKey is VGOKWJBKJVARAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-2-5-14(17)16(12-8-9-12)10-11-6-3-4-7-13(11)15/h3-4,6-7,12H,2,5,8-10H2,1H3.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide has a molecular weight of 235.30 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 60666172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).