2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide

C20H23FN2O — CID 27119187

IUPAC2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(Cc2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C20H23FN2O/c1-15-2-4-16(5-3-15)12-22-20(24)14-23(19-10-11-19)13-17-6-8-18(21)9-7-17/h2-9,19H,10-14H2,1H3,(H,22,24)
InChIKeyPVRWQUVRMPJRCJ-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.41
Rot. Bonds7

About 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide

2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 27119187) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID27119187
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN(Cc2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C20H23FN2O/c1-15-2-4-16(5-3-15)12-22-20(24)14-23(19-10-11-19)13-17-6-8-18(21)9-7-17/h2-9,19H,10-14H2,1H3,(H,22,24)
InChIKeyPVRWQUVRMPJRCJ-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 8872677
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27106162
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8906703
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113162350
2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8905627
N-cyclopropyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 33036704
2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 113147872
2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 66185745
2-[[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]acetyl]amino]-N-propylacetamide
CID 8684133
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 8905929
2-[cyclopropyl(methylsulfonyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113147868
2-[(4-aminocyclohexyl)-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 79113304

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide (CID 27119187) is 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN(Cc2ccc(F)cc2)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is PVRWQUVRMPJRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-15-2-4-16(5-3-15)12-22-20(24)14-23(19-10-11-19)13-17-6-8-18(21)9-7-17/h2-9,19H,10-14H2,1H3,(H,22,24).
What are the key properties of 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide?
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 326.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 27119187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).