4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide

C14H21FN2O — CID 43703533

IUPAC4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
SMILESCC(C)C(NC(=O)CCCN)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-10(2)14(17-13(18)4-3-9-16)11-5-7-12(15)8-6-11/h5-8,10,14H,3-4,9,16H2,1-2H3,(H,17,18)
InChIKeyZIDMEWGDJJDPOX-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.38
Rot. Bonds6

About 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide

4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide (PubChem CID 43703533) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
PubChem CID43703533
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
SMILESCC(C)C(NC(=O)CCCN)c1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-10(2)14(17-13(18)4-3-9-16)11-5-7-12(15)8-6-11/h5-8,10,14H,3-4,9,16H2,1-2H3,(H,17,18)
InChIKeyZIDMEWGDJJDPOX-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 79201421
4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 63307815
5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
CID 60708185
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
4-amino-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]butanamide;hydrochloride
CID 119272369
N-[1-(4-fluorophenyl)-2-methylpropyl]propanamide
CID 60666381
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 54924560
2,4-difluoro-N-[4-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-4-oxobutyl]benzamide
CID 24625565
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 18200777
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 51955789
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
CID 46828416

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide?
The IUPAC name of 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide (CID 43703533) is 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide.
What is the SMILES notation for 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide?
The canonical SMILES for 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide is CC(C)C(NC(=O)CCCN)c1ccc(F)cc1.
What is the InChIKey of 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide?
The InChIKey is ZIDMEWGDJJDPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(2)14(17-13(18)4-3-9-16)11-5-7-12(15)8-6-11/h5-8,10,14H,3-4,9,16H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide?
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide has a molecular weight of 252.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide is sourced from PubChem (CID 43703533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).