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

C15H21FN2O — CID 81076206

IUPAC4-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H21FN2O/c1-11(9-17)8-15(19)18(14-6-7-14)10-12-2-4-13(16)5-3-12/h2-5,11,14H,6-10,17H2,1H3
InChIKeyKZRSOJAFJBYRLN-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.30
Rot. Bonds6

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

4-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide (PubChem CID 81076206) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
PubChem CID81076206
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
SMILESCC(CN)CC(=O)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C15H21FN2O/c1-11(9-17)8-15(19)18(14-6-7-14)10-12-2-4-13(16)5-3-12/h2-5,11,14H,6-10,17H2,1H3
InChIKeyKZRSOJAFJBYRLN-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 65230166
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]propanamide
CID 107904215
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
[4-[[cyclopropyl-[(3S)-3,5,5-trimethylhexanoyl]amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 93019384
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]butanamide
CID 79024748
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
CID 103603514
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 61165604
2-[(4-amino-3-methylbutanoyl)-cyclopropylamino]acetic acid
CID 81086743
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 107909246
5-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 54874686
N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide (CID 81076206) is 4-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide is CC(CN)CC(=O)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 4-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide?
The InChIKey is KZRSOJAFJBYRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(9-17)8-15(19)18(14-6-7-14)10-12-2-4-13(16)5-3-12/h2-5,11,14H,6-10,17H2,1H3.
What are the key properties of 4-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide?
4-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylbutanamide has a molecular weight of 264.34 g/mol, XLogP of 2.30, 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-[(4-fluorophenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 81076206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).