2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide

C24H28F2N2O — CID 86945405

IUPAC2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide
SMILESCc1ccc(CN2CCC(CNC(=O)C3CC3c3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C24H28F2N2O/c1-16-2-4-18(5-3-16)15-28-10-8-17(9-11-28)14-27-24(29)22-13-21(22)20-7-6-19(25)12-23(20)26/h2-7,12,17,21-22H,8-11,13-15H2,1H3,(H,27,29)
InChIKeyRQWNIUUFSJHKMU-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.41
Rot. Bonds6

About 2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide

2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 86945405) has the molecular formula C24H28F2N2O and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide
PubChem CID86945405
Molecular FormulaC24H28F2N2O
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide
SMILESCc1ccc(CN2CCC(CNC(=O)C3CC3c3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C24H28F2N2O/c1-16-2-4-18(5-3-16)15-28-10-8-17(9-11-28)14-27-24(29)22-13-21(22)20-7-6-19(25)12-23(20)26/h2-7,12,17,21-22H,8-11,13-15H2,1H3,(H,27,29)
InChIKeyRQWNIUUFSJHKMU-UHFFFAOYSA-N
XLogP4.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,4-difluorophenyl)cyclopropane-1-carboxamide
CID 97076812
cis-(1S,2R)-N-(cyclobutylmethyl)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 97076783
2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 119462854
2-(2,4-difluorophenyl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]cyclopropane-1-carboxamide
CID 111433991
2-(2,4-difluorophenyl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119462853
5-[[[(1S,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]methyl]-2-methoxybenzoic acid
CID 124688324
1-cyclohexyl-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 86895951
1-(3-hydroxypropyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 111106672
5-cyclopropyl-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 119041616
4-[[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 124700868
cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[3-(methanesulfonamido)propyl]cyclopropane-1-carboxamide
CID 96533325
N-[[1-[[4-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]methyl]acetamide
CID 70774921

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide (CID 86945405) is 2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide is Cc1ccc(CN2CCC(CNC(=O)C3CC3c3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is RQWNIUUFSJHKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N2O/c1-16-2-4-18(5-3-16)15-28-10-8-17(9-11-28)14-27-24(29)22-13-21(22)20-7-6-19(25)12-23(20)26/h2-7,12,17,21-22H,8-11,13-15H2,1H3,(H,27,29).
What are the key properties of 2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide?
2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 398.50 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 86945405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).