N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(3-methylpyrrolidin-1-yl)benzamide

C22H25FN2O — CID 166401796

IUPACN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(3-methylpyrrolidin-1-yl)benzamide
SMILESCC1CCN(c2ccc(C(=O)NCC3(c4ccc(F)cc4)CC3)cc2)C1
InChIInChI=1S/C22H25FN2O/c1-16-10-13-25(14-16)20-8-2-17(3-9-20)21(26)24-15-22(11-12-22)18-4-6-19(23)7-5-18/h2-9,16H,10-15H2,1H3,(H,24,26)
InChIKeyHQEVQEOZSCWOQO-UHFFFAOYSA-N
MW352.45 g/mol
LogP4.13
Rot. Bonds5

About N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(3-methylpyrrolidin-1-yl)benzamide

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(3-methylpyrrolidin-1-yl)benzamide (PubChem CID 166401796) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(3-methylpyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(3-methylpyrrolidin-1-yl)benzamide
PubChem CID166401796
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC NameN-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(3-methylpyrrolidin-1-yl)benzamide
SMILESCC1CCN(c2ccc(C(=O)NCC3(c4ccc(F)cc4)CC3)cc2)C1
InChIInChI=1S/C22H25FN2O/c1-16-10-13-25(14-16)20-8-2-17(3-9-20)21(26)24-15-22(11-12-22)18-4-6-19(23)7-5-18/h2-9,16H,10-15H2,1H3,(H,24,26)
InChIKeyHQEVQEOZSCWOQO-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(trifluoromethyl)benzamide
CID 42266020
4-fluoro-N-[3-methyl-1-[4-(3-methylpyrrolidin-1-yl)anilino]-1-oxobutan-2-yl]benzamide
CID 56559076
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,5-dimethylbenzamide
CID 42266032
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
4-(4-methylpiperidin-1-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 46951890
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-4-propylbenzamide
CID 27450093
N-[4-(3-methylpyrrolidin-1-yl)phenyl]-4-(phenylcarbamoylamino)benzamide
CID 56556326
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4,5-trimethoxybenzamide
CID 42265991
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443732
3,4-difluoro-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450150
1-(4-fluorophenyl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 56556091

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(3-methylpyrrolidin-1-yl)benzamide?
The IUPAC name of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(3-methylpyrrolidin-1-yl)benzamide (CID 166401796) is N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(3-methylpyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(3-methylpyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(3-methylpyrrolidin-1-yl)benzamide is CC1CCN(c2ccc(C(=O)NCC3(c4ccc(F)cc4)CC3)cc2)C1.
What is the InChIKey of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(3-methylpyrrolidin-1-yl)benzamide?
The InChIKey is HQEVQEOZSCWOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-16-10-13-25(14-16)20-8-2-17(3-9-20)21(26)24-15-22(11-12-22)18-4-6-19(23)7-5-18/h2-9,16H,10-15H2,1H3,(H,24,26).
What are the key properties of N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(3-methylpyrrolidin-1-yl)benzamide?
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(3-methylpyrrolidin-1-yl)benzamide has a molecular weight of 352.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-4-(3-methylpyrrolidin-1-yl)benzamide is sourced from PubChem (CID 166401796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).