2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide

C20H23FN2O3 — CID 8977636

IUPAC2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(Cc2ccccc2F)C2CC2)c1
InChIInChI=1S/C20H23FN2O3/c1-25-16-9-10-19(26-2)18(11-16)22-20(24)13-23(15-7-8-15)12-14-5-3-4-6-17(14)21/h3-6,9-11,15H,7-8,12-13H2,1-2H3,(H,22,24)
InChIKeyKTFXOCDJFSNACH-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.45
Rot. Bonds8

About 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide

2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 8977636) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID8977636
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN(Cc2ccccc2F)C2CC2)c1
InChIInChI=1S/C20H23FN2O3/c1-25-16-9-10-19(26-2)18(11-16)22-20(24)13-23(15-7-8-15)12-14-5-3-4-6-17(14)21/h3-6,9-11,15H,7-8,12-13H2,1-2H3,(H,22,24)
InChIKeyKTFXOCDJFSNACH-UHFFFAOYSA-N
XLogP3.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 60513356
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 8977684
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 8977885
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8769999
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenyl)acetamide
CID 1228251
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 26651079
N-(2-chloro-4-methylphenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8977549
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 34978448
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-propan-2-ylacetamide
CID 34979795
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-quinolin-5-ylacetamide
CID 34982278
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8977734
N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8977667

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide (CID 8977636) is 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CN(Cc2ccccc2F)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is KTFXOCDJFSNACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-25-16-9-10-19(26-2)18(11-16)22-20(24)13-23(15-7-8-15)12-14-5-3-4-6-17(14)21/h3-6,9-11,15H,7-8,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide?
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 358.41 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 8977636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).