1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea

C19H19F2N3O3 — CID 51128772

IUPAC1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea
SMILESCOc1ccc(CNC(=O)NCc2cc3ccccc3[nH]2)cc1OC(F)F
InChIInChI=1S/C19H19F2N3O3/c1-26-16-7-6-12(8-17(16)27-18(20)21)10-22-19(25)23-11-14-9-13-4-2-3-5-15(13)24-14/h2-9,18,24H,10-11H2,1H3,(H2,22,23,25)
InChIKeyCYGCYAHGKQWTTN-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.78
Rot. Bonds7

About 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea

1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea (PubChem CID 51128772) has the molecular formula C19H19F2N3O3 and a molecular weight of 375.38 g/mol. Its IUPAC name is 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea
PubChem CID51128772
Molecular FormulaC19H19F2N3O3
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea
SMILESCOc1ccc(CNC(=O)NCc2cc3ccccc3[nH]2)cc1OC(F)F
InChIInChI=1S/C19H19F2N3O3/c1-26-16-7-6-12(8-17(16)27-18(20)21)10-22-19(25)23-11-14-9-13-4-2-3-5-15(13)24-14/h2-9,18,24H,10-11H2,1H3,(H2,22,23,25)
InChIKeyCYGCYAHGKQWTTN-UHFFFAOYSA-N
XLogP3.78
TPSA75.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea with MolForge

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Related Compounds

1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-methylphenyl)methyl]urea
CID 38326796
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 55656321
3-amino-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]butanamide
CID 119715981
4-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethoxybenzamide
CID 38966118
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,4,5-trimethoxybenzamide
CID 34626354
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
2-(difluoromethoxy)-N-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9240904
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylindole-2-carboxamide
CID 55876041
N-[2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
CID 55656432
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 34623549
[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 9288266
3-bromo-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N-methyl-1H-indole-2-carboxamide
CID 55911154

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea?
The IUPAC name of 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea (CID 51128772) is 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea.
What is the SMILES notation for 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea?
The canonical SMILES for 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea is COc1ccc(CNC(=O)NCc2cc3ccccc3[nH]2)cc1OC(F)F.
What is the InChIKey of 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea?
The InChIKey is CYGCYAHGKQWTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O3/c1-26-16-7-6-12(8-17(16)27-18(20)21)10-22-19(25)23-11-14-9-13-4-2-3-5-15(13)24-14/h2-9,18,24H,10-11H2,1H3,(H2,22,23,25).
What are the key properties of 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea?
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea has a molecular weight of 375.38 g/mol, XLogP of 3.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-(1H-indol-2-ylmethyl)urea is sourced from PubChem (CID 51128772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).