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

C14H21FN2O — CID 54924560

IUPAC3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
SMILESCC(N)CC(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H21FN2O/c1-9(2)14(17-13(18)8-10(3)16)11-4-6-12(15)7-5-11/h4-7,9-10,14H,8,16H2,1-3H3,(H,17,18)
InChIKeyKBLKBFFUUMFYOL-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.38
Rot. Bonds5

About 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide

3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide (PubChem CID 54924560) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
PubChem CID54924560
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
SMILESCC(N)CC(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C14H21FN2O/c1-9(2)14(17-13(18)8-10(3)16)11-4-6-12(15)7-5-11/h4-7,9-10,14H,8,16H2,1-3H3,(H,17,18)
InChIKeyKBLKBFFUUMFYOL-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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]propanamide
CID 60666381
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
CID 46828416
3-amino-N-[1-(4-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119693493
4-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 43703533
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 61180745
N-[1-(4-fluorophenyl)-2-methylpropyl]-4-hydroxybutanamide
CID 79201421
(2S)-2-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 79024949
4-chloro-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide
CID 63307815
5-[[1-(4-fluorophenyl)-2-methylpropyl]amino]-5-oxopentanoic acid
CID 60708185
N-[1-(4-fluorophenyl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 18200777
2-(azepan-1-yl)-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46657908
N-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-2-[(S)-(5-methyl-2-pyridinyl)sulfinyl]acetamide
CID 124627481

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide?
The IUPAC name of 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide (CID 54924560) is 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide.
What is the SMILES notation for 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide?
The canonical SMILES for 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide is CC(N)CC(=O)NC(c1ccc(F)cc1)C(C)C.
What is the InChIKey of 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide?
The InChIKey is KBLKBFFUUMFYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(2)14(17-13(18)8-10(3)16)11-4-6-12(15)7-5-11/h4-7,9-10,14H,8,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide?
3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide has a molecular weight of 252.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-fluorophenyl)-2-methylpropyl]butanamide is sourced from PubChem (CID 54924560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).