4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide

C15H19F3N2O — CID 131911207

IUPAC4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
SMILESO=C(CCC(F)(F)F)Nc1ccccc1CN1CCCC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)8-7-14(21)19-13-6-2-1-5-12(13)11-20-9-3-4-10-20/h1-2,5-6H,3-4,7-11H2,(H,19,21)
InChIKeyGLJCBFJKHNZSFL-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.56
Rot. Bonds5

About 4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide

4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide (PubChem CID 131911207) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
PubChem CID131911207
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
SMILESO=C(CCC(F)(F)F)Nc1ccccc1CN1CCCC1
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)8-7-14(21)19-13-6-2-1-5-12(13)11-20-9-3-4-10-20/h1-2,5-6H,3-4,7-11H2,(H,19,21)
InChIKeyGLJCBFJKHNZSFL-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 55204824
5-chloro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 43701552
4,4,4-trifluoro-N-[2-(methylaminomethyl)phenyl]butanamide;hydrochloride
CID 119437962
2-cyclopentyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 71896430
2-amino-N-[2-oxo-2-[2-(pyrrolidin-1-ylmethyl)anilino]ethyl]acetamide
CID 60850877
3-piperidin-1-yl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110688356
2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79814004
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 55676986
N-[2-(aminomethyl)phenyl]-4-pyrrolidin-1-ylbutanamide
CID 16779594
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
1-(aminomethyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 115452618

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide (CID 131911207) is 4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide is O=C(CCC(F)(F)F)Nc1ccccc1CN1CCCC1.
What is the InChIKey of 4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide?
The InChIKey is GLJCBFJKHNZSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)8-7-14(21)19-13-6-2-1-5-12(13)11-20-9-3-4-10-20/h1-2,5-6H,3-4,7-11H2,(H,19,21).
What are the key properties of 4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide?
4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide has a molecular weight of 300.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide is sourced from PubChem (CID 131911207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).