2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide

C13H16F2N2O — CID 103602575

IUPAC2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(Nc1ccc(CN2CCCC2)cc1)C(F)F
InChIInChI=1S/C13H16F2N2O/c14-12(15)13(18)16-11-5-3-10(4-6-11)9-17-7-1-2-8-17/h3-6,12H,1-2,7-9H2,(H,16,18)
InChIKeyDVNIGZPMMZKBSX-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.49
Rot. Bonds4

About 2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide

2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide (PubChem CID 103602575) has the molecular formula C13H16F2N2O and a molecular weight of 254.28 g/mol. Its IUPAC name is 2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
PubChem CID103602575
Molecular FormulaC13H16F2N2O
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(Nc1ccc(CN2CCCC2)cc1)C(F)F
InChIInChI=1S/C13H16F2N2O/c14-12(15)13(18)16-11-5-3-10(4-6-11)9-17-7-1-2-8-17/h3-6,12H,1-2,7-9H2,(H,16,18)
InChIKeyDVNIGZPMMZKBSX-UHFFFAOYSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 62639474
2-amino-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanediamide
CID 60848333
(2R)-N-(4-fluorophenyl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]acetamide
CID 41099183
2-amino-3-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 81082842
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739357
N-[4-[[4-(2,2-difluoroacetyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide
CID 74224714
2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 60671103
2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 114327805
2-(2,5-difluorophenyl)sulfanyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 8871255
4-hydroxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79200789

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide (CID 103602575) is 2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide is O=C(Nc1ccc(CN2CCCC2)cc1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is DVNIGZPMMZKBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O/c14-12(15)13(18)16-11-5-3-10(4-6-11)9-17-7-1-2-8-17/h3-6,12H,1-2,7-9H2,(H,16,18).
What are the key properties of 2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 254.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 103602575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).