N-cyclopropyl-4-[1-(4-fluorophenyl)propan-2-ylamino]butanamide

C16H23FN2O — CID 115709702

IUPACN-cyclopropyl-4-[1-(4-fluorophenyl)propan-2-ylamino]butanamide
SMILESCC(Cc1ccc(F)cc1)NCCCC(=O)NC1CC1
InChIInChI=1S/C16H23FN2O/c1-12(11-13-4-6-14(17)7-5-13)18-10-2-3-16(20)19-15-8-9-15/h4-7,12,15,18H,2-3,8-11H2,1H3,(H,19,20)
InChIKeyPXVSWQVZGNCHSG-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.41
Rot. Bonds8

About N-cyclopropyl-4-[1-(4-fluorophenyl)propan-2-ylamino]butanamide

N-cyclopropyl-4-[1-(4-fluorophenyl)propan-2-ylamino]butanamide (PubChem CID 115709702) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-cyclopropyl-4-[1-(4-fluorophenyl)propan-2-ylamino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[1-(4-fluorophenyl)propan-2-ylamino]butanamide
PubChem CID115709702
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-cyclopropyl-4-[1-(4-fluorophenyl)propan-2-ylamino]butanamide
SMILESCC(Cc1ccc(F)cc1)NCCCC(=O)NC1CC1
InChIInChI=1S/C16H23FN2O/c1-12(11-13-4-6-14(17)7-5-13)18-10-2-3-16(20)19-15-8-9-15/h4-7,12,15,18H,2-3,8-11H2,1H3,(H,19,20)
InChIKeyPXVSWQVZGNCHSG-UHFFFAOYSA-N
XLogP2.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide
CID 63097642
4-[1-(4-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 62996197
N-cyclopropyl-4-(hexan-2-ylamino)butanamide
CID 79394095
N-cyclopropyl-4-[4-(3-methylphenyl)butan-2-ylamino]butanamide
CID 79377026
N-cyclopropyl-4-(1-cyclopropylethylamino)butanamide
CID 79394178
N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpentan-1-amine
CID 83155525
N-cyclopropyl-4-(1-methylsulfonylpropan-2-ylamino)butanamide
CID 79394021
1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea
CID 115588349
N-cyclopropyl-4-(nonan-2-ylamino)butanamide
CID 79394259
N-cyclopropyl-4-[4-(furan-2-yl)butan-2-ylamino]butanamide
CID 79394921
3-(4-fluorophenyl)-N-(4-hydroxycyclohexyl)propanamide
CID 43392085
N-[1-(4-fluorophenyl)propan-2-yl]-7-methyloctan-1-amine
CID 114828384

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[1-(4-fluorophenyl)propan-2-ylamino]butanamide?
The IUPAC name of N-cyclopropyl-4-[1-(4-fluorophenyl)propan-2-ylamino]butanamide (CID 115709702) is N-cyclopropyl-4-[1-(4-fluorophenyl)propan-2-ylamino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[1-(4-fluorophenyl)propan-2-ylamino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[1-(4-fluorophenyl)propan-2-ylamino]butanamide is CC(Cc1ccc(F)cc1)NCCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[1-(4-fluorophenyl)propan-2-ylamino]butanamide?
The InChIKey is PXVSWQVZGNCHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-12(11-13-4-6-14(17)7-5-13)18-10-2-3-16(20)19-15-8-9-15/h4-7,12,15,18H,2-3,8-11H2,1H3,(H,19,20).
What are the key properties of N-cyclopropyl-4-[1-(4-fluorophenyl)propan-2-ylamino]butanamide?
N-cyclopropyl-4-[1-(4-fluorophenyl)propan-2-ylamino]butanamide has a molecular weight of 278.37 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[1-(4-fluorophenyl)propan-2-ylamino]butanamide is sourced from PubChem (CID 115709702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).