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

C14H19FN2O — CID 54869271

IUPAC4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
SMILESNCCCC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C14H19FN2O/c15-13-5-2-1-4-11(13)10-17(12-7-8-12)14(18)6-3-9-16/h1-2,4-5,12H,3,6-10,16H2
InChIKeyWISAHSDATUWKTI-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.06
Rot. Bonds6

About 4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide

4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide (PubChem CID 54869271) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
PubChem CID54869271
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
SMILESNCCCC(=O)N(Cc1ccccc1F)C1CC1
InChIInChI=1S/C14H19FN2O/c15-13-5-2-1-4-11(13)10-17(12-7-8-12)14(18)6-3-9-16/h1-2,4-5,12H,3,6-10,16H2
InChIKeyWISAHSDATUWKTI-UHFFFAOYSA-N
XLogP2.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide;hydrochloride
CID 119272346
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide
CID 60666172
5-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-4-methylpentanamide
CID 82012605
N-cyclopropyl-3-(cyclopropylamino)-N-[(2-fluorophenyl)methyl]propanamide
CID 60936622
N-(3-aminopropyl)-N-cyclopropyl-2-(2-fluorophenyl)acetamide
CID 43136756
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 65229877
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706
6-amino-N-benzyl-N-cyclopropylhexanamide
CID 43579228
(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 61162931
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide
CID 78810506
N-cyclopropyl-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2-fluorophenyl)methyl]butanamide
CID 24549331

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide (CID 54869271) is 4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide is NCCCC(=O)N(Cc1ccccc1F)C1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide?
The InChIKey is WISAHSDATUWKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-13-5-2-1-4-11(13)10-17(12-7-8-12)14(18)6-3-9-16/h1-2,4-5,12H,3,6-10,16H2.
What are the key properties of 4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide?
4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide has a molecular weight of 250.32 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 54869271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).