N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide

C17H22F2N2O3 — CID 97062198

IUPACN-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide
SMILESCNC(=O)[C@H](NC(=O)C1(CCOC)CCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H22F2N2O3/c1-20-15(22)14(11-4-5-12(18)13(19)10-11)21-16(23)17(6-3-7-17)8-9-24-2/h4-5,10,14H,3,6-9H2,1-2H3,(H,20,22)(H,21,23)/t14-/m1/s1
InChIKeyGUCDMNDJKSTMFB-CQSZACIVSA-N
MW340.37 g/mol
LogP2.07
Rot. Bonds7

About N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide

N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide (PubChem CID 97062198) has the molecular formula C17H22F2N2O3 and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide
PubChem CID97062198
Molecular FormulaC17H22F2N2O3
Molecular Weight340.37 g/mol
Exact Mass340.16
IUPAC NameN-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide
SMILESCNC(=O)[C@H](NC(=O)C1(CCOC)CCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H22F2N2O3/c1-20-15(22)14(11-4-5-12(18)13(19)10-11)21-16(23)17(6-3-7-17)8-9-24-2/h4-5,10,14H,3,6-9H2,1-2H3,(H,20,22)(H,21,23)/t14-/m1/s1
InChIKeyGUCDMNDJKSTMFB-CQSZACIVSA-N
XLogP2.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 78841474
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(methoxymethyl)benzamide
CID 134051659
4-chloro-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-2-fluorobenzamide
CID 78834572
N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]benzamide
CID 95402613
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2-methoxyethylsulfamoyl)benzamide
CID 55502416
2-(3,4-difluorophenyl)-2-[[2-(4-iodophenoxy)acetyl]amino]-N-methylacetamide
CID 55502598
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 134051712
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55629313
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 134051690
N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 55502073
5-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 134051645
4-butoxy-N-[2-[[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 55483855

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide (CID 97062198) is N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide is CNC(=O)[C@H](NC(=O)C1(CCOC)CCC1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
The InChIKey is GUCDMNDJKSTMFB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22F2N2O3/c1-20-15(22)14(11-4-5-12(18)13(19)10-11)21-16(23)17(6-3-7-17)8-9-24-2/h4-5,10,14H,3,6-9H2,1-2H3,(H,20,22)(H,21,23)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide?
N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 97062198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).