N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide

C23H19F2NO4 — CID 9193847

IUPACN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
SMILESCOc1cc(CNC(=O)C2c3ccccc3Oc3ccccc32)ccc1OC(F)F
InChIInChI=1S/C23H19F2NO4/c1-28-20-12-14(10-11-19(20)30-23(24)25)13-26-22(27)21-15-6-2-4-8-17(15)29-18-9-5-3-7-16(18)21/h2-12,21,23H,13H2,1H3,(H,26,27)
InChIKeySGLHGDSTKXZQOB-UHFFFAOYSA-N
MW411.40 g/mol
LogP4.85
Rot. Bonds6

About N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide (PubChem CID 9193847) has the molecular formula C23H19F2NO4 and a molecular weight of 411.40 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
PubChem CID9193847
Molecular FormulaC23H19F2NO4
Molecular Weight411.40 g/mol
Exact Mass411.13
IUPAC NameN-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
SMILESCOc1cc(CNC(=O)C2c3ccccc3Oc3ccccc32)ccc1OC(F)F
InChIInChI=1S/C23H19F2NO4/c1-28-20-12-14(10-11-19(20)30-23(24)25)13-26-22(27)21-15-6-2-4-8-17(15)29-18-9-5-3-7-16(18)21/h2-12,21,23H,13H2,1H3,(H,26,27)
InChIKeySGLHGDSTKXZQOB-UHFFFAOYSA-N
XLogP4.85
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.40
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
CID 55781233
N-[(3-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 7921022
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 47009227
N-[[3-[(9H-xanthene-9-carbonylamino)methyl]phenyl]methyl]-9H-xanthene-9-carboxamide
CID 5112519
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea
CID 55740715
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
N-benzyl-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfanyl]acetamide
CID 8969520
(3S)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8857035
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 31424405
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 9017557

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide (CID 9193847) is N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide is COc1cc(CNC(=O)C2c3ccccc3Oc3ccccc32)ccc1OC(F)F.
What is the InChIKey of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide?
The InChIKey is SGLHGDSTKXZQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2NO4/c1-28-20-12-14(10-11-19(20)30-23(24)25)13-26-22(27)21-15-6-2-4-8-17(15)29-18-9-5-3-7-16(18)21/h2-12,21,23H,13H2,1H3,(H,26,27).
What are the key properties of N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide?
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide has a molecular weight of 411.40 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 9193847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).