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

C19H21FN2O2 — CID 8977684

IUPAC2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccccc2F)C2CC2)cc1
InChIInChI=1S/C19H21FN2O2/c1-24-17-10-6-15(7-11-17)21-19(23)13-22(16-8-9-16)12-14-4-2-3-5-18(14)20/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,21,23)
InChIKeyWDBSINSDIAFLLY-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.44
Rot. Bonds7

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

2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide (PubChem CID 8977684) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
PubChem CID8977684
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(Cc2ccccc2F)C2CC2)cc1
InChIInChI=1S/C19H21FN2O2/c1-24-17-10-6-15(7-11-17)21-19(23)13-22(16-8-9-16)12-14-4-2-3-5-18(14)20/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,21,23)
InChIKeyWDBSINSDIAFLLY-UHFFFAOYSA-N
XLogP3.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8977636
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 8977885
N-(4-chlorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770105
2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 34978448
methyl 4-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 8770093
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 26651079
N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770129
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8977734
2-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 60513356
N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 86908948
N-(2-chloro-4-methylphenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8977549
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(4-methoxyphenyl)acetamide
CID 60911412

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide (CID 8977684) is 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CN(Cc2ccccc2F)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide?
The InChIKey is WDBSINSDIAFLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-24-17-10-6-15(7-11-17)21-19(23)13-22(16-8-9-16)12-14-4-2-3-5-18(14)20/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,21,23).
What are the key properties of 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide?
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide has a molecular weight of 328.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 8977684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).