2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide

C20H21F3N2O3 — CID 26379534

IUPAC2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide
SMILESCOc1cc(CN(CC(=O)Nc2ccc(F)cc2)C2CC2)ccc1OC(F)F
InChIInChI=1S/C20H21F3N2O3/c1-27-18-10-13(2-9-17(18)28-20(22)23)11-25(16-7-8-16)12-19(26)24-15-5-3-14(21)4-6-15/h2-6,9-10,16,20H,7-8,11-12H2,1H3,(H,24,26)
InChIKeyGHLSRKFSGWHBPP-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.04
Rot. Bonds9

About 2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide

2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide (PubChem CID 26379534) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide
PubChem CID26379534
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide
SMILESCOc1cc(CN(CC(=O)Nc2ccc(F)cc2)C2CC2)ccc1OC(F)F
InChIInChI=1S/C20H21F3N2O3/c1-27-18-10-13(2-9-17(18)28-20(22)23)11-25(16-7-8-16)12-19(26)24-15-5-3-14(21)4-6-15/h2-6,9-10,16,20H,7-8,11-12H2,1H3,(H,24,26)
InChIKeyGHLSRKFSGWHBPP-UHFFFAOYSA-N
XLogP4.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide with MolForge

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Related Compounds

2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[2-(difluoromethoxy)phenyl]acetamide
CID 35885885
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 8872677
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8969526
methyl 1-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]acetyl]piperidine-4-carboxylate
CID 17481178
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-phenylpropanamide
CID 46429061
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(3,4-difluorophenyl)propanamide
CID 55482218
N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]acetamide
CID 24507321
1-N-cyclopropyl-1-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropane-1,2-diamine;hydrochloride
CID 120847888
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine;hydrochloride
CID 119929823
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 8786139
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxy-4-methylbenzamide
CID 18169209
N-(4-chlorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770105

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide (CID 26379534) is 2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide is COc1cc(CN(CC(=O)Nc2ccc(F)cc2)C2CC2)ccc1OC(F)F.
What is the InChIKey of 2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is GHLSRKFSGWHBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-27-18-10-13(2-9-17(18)28-20(22)23)11-25(16-7-8-16)12-19(26)24-15-5-3-14(21)4-6-15/h2-6,9-10,16,20H,7-8,11-12H2,1H3,(H,24,26).
What are the key properties of 2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide?
2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 394.39 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 26379534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).