2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide

C21H24F2N2O2 — CID 46402667

IUPAC2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESCC(C1CC1)N(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccccc1
InChIInChI=1S/C21H24F2N2O2/c1-15(17-7-8-17)25(13-16-5-3-2-4-6-16)14-20(26)24-18-9-11-19(12-10-18)27-21(22)23/h2-6,9-12,15,17,21H,7-8,13-14H2,1H3,(H,24,26)
InChIKeyFBASFRAHKSYFDC-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.53
Rot. Bonds9

About 2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide

2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 46402667) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID46402667
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Name2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESCC(C1CC1)N(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccccc1
InChIInChI=1S/C21H24F2N2O2/c1-15(17-7-8-17)25(13-16-5-3-2-4-6-16)14-20(26)24-18-9-11-19(12-10-18)27-21(22)23/h2-6,9-12,15,17,21H,7-8,13-14H2,1H3,(H,24,26)
InChIKeyFBASFRAHKSYFDC-UHFFFAOYSA-N
XLogP4.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[benzyl(1-cyclopropylethyl)amino]-N-(phenylcarbamoyl)acetamide
CID 55444967
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(3-fluorophenyl)acetamide
CID 31996146
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 31995742
N-(5-acetamido-2-methoxyphenyl)-2-[benzyl(1-cyclopropylethyl)amino]acetamide
CID 46402737
2-[acetyl(benzyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113161293
2-[benzyl(1-cyclopropylethyl)amino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 51249740
N-[4-(difluoromethoxy)phenyl]-3-phenylpropanamide
CID 8502657
2-[benzyl-[(1S)-1-cyclopropylethyl]amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 31996292
N-[4-(difluoromethoxy)phenyl]-2-[ethyl-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]amino]acetamide
CID 98728851
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide
CID 27218169
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 55324482
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-naphthalen-2-ylacetamide
CID 9023955

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide (CID 46402667) is 2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide is CC(C1CC1)N(CC(=O)Nc1ccc(OC(F)F)cc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is FBASFRAHKSYFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-15(17-7-8-17)25(13-16-5-3-2-4-6-16)14-20(26)24-18-9-11-19(12-10-18)27-21(22)23/h2-6,9-12,15,17,21H,7-8,13-14H2,1H3,(H,24,26).
What are the key properties of 2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide?
2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 374.43 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(1-cyclopropylethyl)amino]-N-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 46402667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).