3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide

C14H19FN2O — CID 119731231

IUPAC3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
SMILESCC(N)CC(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O/c1-10(16)8-13(18)17-9-14(6-7-14)11-2-4-12(15)5-3-11/h2-5,10H,6-9,16H2,1H3,(H,17,18)
InChIKeyVZNLNBDDGASDPW-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.71
Rot. Bonds5

About 3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide

3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide (PubChem CID 119731231) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
PubChem CID119731231
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
SMILESCC(N)CC(=O)NCC1(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H19FN2O/c1-10(16)8-13(18)17-9-14(6-7-14)11-2-4-12(15)5-3-11/h2-5,10H,6-9,16H2,1H3,(H,17,18)
InChIKeyVZNLNBDDGASDPW-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide
CID 119744792
(2S)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-methylpentanamide
CID 110482473
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120561267
3-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119744791
4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
CID 120561270
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-methylpropanamide
CID 42266064
2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 119293600
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
3-amino-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 119731118
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119731211

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide?
The IUPAC name of 3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide (CID 119731231) is 3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide is CC(N)CC(=O)NCC1(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide?
The InChIKey is VZNLNBDDGASDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-10(16)8-13(18)17-9-14(6-7-14)11-2-4-12(15)5-3-11/h2-5,10H,6-9,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide?
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide has a molecular weight of 250.32 g/mol, XLogP of 1.71, 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)cyclopropyl]methyl]butanamide is sourced from PubChem (CID 119731231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).