N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

C19H16F2N2O3 — CID 49336908

IUPACN-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C19H16F2N2O3/c1-12-15-7-2-3-8-16(15)18(25)23(12)11-17(24)22-10-13-5-4-6-14(9-13)26-19(20)21/h2-9,19H,1,10-11H2,(H,22,24)
InChIKeyDWIIRYXCGVTRLJ-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.03
Rot. Bonds6

About N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide

N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 49336908) has the molecular formula C19H16F2N2O3 and a molecular weight of 358.34 g/mol. Its IUPAC name is N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID49336908
Molecular FormulaC19H16F2N2O3
Molecular Weight358.34 g/mol
Exact Mass358.11
IUPAC NameN-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)NCc1cccc(OC(F)F)c1
InChIInChI=1S/C19H16F2N2O3/c1-12-15-7-2-3-8-16(15)18(25)23(12)11-17(24)22-10-13-5-4-6-14(9-13)26-19(20)21/h2-9,19H,1,10-11H2,(H,22,24)
InChIKeyDWIIRYXCGVTRLJ-UHFFFAOYSA-N
XLogP3.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 34624107
N-[[3-(difluoromethoxy)phenyl]methyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 47087962
N-[4-(difluoromethoxy)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 16592169
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 55709832
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017557
N-[(4-acetamidophenyl)methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18154251
N-[[3-(difluoromethoxy)phenyl]methyl]pentanamide
CID 49337433
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 17466380
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 18137394
2-[4-(difluoromethoxy)phenyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 32734290
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 86981058
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 49467029

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 49336908) is N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)NCc1cccc(OC(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is DWIIRYXCGVTRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O3/c1-12-15-7-2-3-8-16(15)18(25)23(12)11-17(24)22-10-13-5-4-6-14(9-13)26-19(20)21/h2-9,19H,1,10-11H2,(H,22,24).
What are the key properties of N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 358.34 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethoxy)phenyl]methyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 49336908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).