N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

C19H16F2N2O4 — CID 39991399

IUPACN-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H16F2N2O4/c1-10(11-3-6-13(7-4-11)27-19(20)21)22-16(24)12-5-8-14-15(9-12)18(26)23(2)17(14)25/h3-10,19H,1-2H3,(H,22,24)/t10-/m0/s1
InChIKeyZGWBCZBWWFBDPX-JTQLQIEISA-N
MW374.34 g/mol
LogP3.00
Rot. Bonds5

About N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide

N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 39991399) has the molecular formula C19H16F2N2O4 and a molecular weight of 374.34 g/mol. Its IUPAC name is N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID39991399
Molecular FormulaC19H16F2N2O4
Molecular Weight374.34 g/mol
Exact Mass374.11
IUPAC NameN-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H16F2N2O4/c1-10(11-3-6-13(7-4-11)27-19(20)21)22-16(24)12-5-8-14-15(9-12)18(26)23(2)17(14)25/h3-10,19H,1-2H3,(H,22,24)/t10-/m0/s1
InChIKeyZGWBCZBWWFBDPX-JTQLQIEISA-N
XLogP3.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-butyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 46487110
N-[(1R)-1-(4-bromophenyl)ethyl]-4-(difluoromethoxy)benzamide
CID 7948910
3-chloro-N-[(1R)-1-[4-(difluoromethoxy)phenyl]ethyl]-4-hydroxybenzamide
CID 51933816
2-methyl-1,3-dioxo-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]isoindole-5-carboxamide
CID 39964916
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]furan-3-carboxamide
CID 39991415
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51115908
3-(difluoromethoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]-4-(1H-pyrazol-4-yl)benzamide
CID 118668478
N-[(1S)-1-(4-chlorophenyl)ethyl]-1,3-dioxo-2-prop-2-enylisoindole-5-carboxamide
CID 9186841
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525778
N-(1-amino-4-methylpentan-2-yl)-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 119587154
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-(4-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 55962953
3-(difluoromethoxy)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 2537276

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide (CID 39991399) is N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is ZGWBCZBWWFBDPX-JTQLQIEISA-N. The full InChI is InChI=1S/C19H16F2N2O4/c1-10(11-3-6-13(7-4-11)27-19(20)21)22-16(24)12-5-8-14-15(9-12)18(26)23(2)17(14)25/h3-10,19H,1-2H3,(H,22,24)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide?
N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 374.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 39991399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).