1-[4-(2,4-difluorophenyl)oxan-4-yl]-3-(1H-indol-6-yl)urea

C20H19F2N3O2 — CID 126785654

IUPAC1-[4-(2,4-difluorophenyl)oxan-4-yl]-3-(1H-indol-6-yl)urea
SMILESO=C(Nc1ccc2cc[nH]c2c1)NC1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C20H19F2N3O2/c21-14-2-4-16(17(22)11-14)20(6-9-27-10-7-20)25-19(26)24-15-3-1-13-5-8-23-18(13)12-15/h1-5,8,11-12,23H,6-7,9-10H2,(H2,24,25,26)
InChIKeyMBTRJYUQLOTSKK-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.27
Rot. Bonds3

About 1-[4-(2,4-difluorophenyl)oxan-4-yl]-3-(1H-indol-6-yl)urea

1-[4-(2,4-difluorophenyl)oxan-4-yl]-3-(1H-indol-6-yl)urea (PubChem CID 126785654) has the molecular formula C20H19F2N3O2 and a molecular weight of 371.39 g/mol. Its IUPAC name is 1-[4-(2,4-difluorophenyl)oxan-4-yl]-3-(1H-indol-6-yl)urea.

Molecular Properties

Compound Name1-[4-(2,4-difluorophenyl)oxan-4-yl]-3-(1H-indol-6-yl)urea
PubChem CID126785654
Molecular FormulaC20H19F2N3O2
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name1-[4-(2,4-difluorophenyl)oxan-4-yl]-3-(1H-indol-6-yl)urea
SMILESO=C(Nc1ccc2cc[nH]c2c1)NC1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C20H19F2N3O2/c21-14-2-4-16(17(22)11-14)20(6-9-27-10-7-20)25-19(26)24-15-3-1-13-5-8-23-18(13)12-15/h1-5,8,11-12,23H,6-7,9-10H2,(H2,24,25,26)
InChIKeyMBTRJYUQLOTSKK-UHFFFAOYSA-N
XLogP4.27
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-1H-pyrrole-3-carboxamide
CID 75393612
N-[4-(2,4-difluorophenyl)oxan-4-yl]-5-methylfuran-3-carboxamide
CID 136534009
(2R)-N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-hydroxy-2-phenylacetamide
CID 97248230
3-cyano-N-[4-(2,4-difluorophenyl)oxan-4-yl]benzamide
CID 75392620
N-[4-(2,4-difluorophenyl)oxan-4-yl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 75393613
4-(2,4-difluorophenyl)oxane-4-carboxylic acid
CID 64561177
N-[4-(2,4-difluorophenyl)oxan-4-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 97083131
2-(4-fluorophenoxy)-N-(1H-indol-6-yl)acetamide
CID 110730844
2-[4-[[4-(2,4-difluorophenyl)oxane-4-carbonyl]amino]-2-fluorophenyl]acetic acid
CID 122109753
2-[3-[[4-(2,4-difluorophenyl)oxan-4-yl]amino]-3-oxopropyl]benzoic acid
CID 120551325
(Z)-3-amino-N-(1H-indol-6-ylcarbamoyl)prop-2-enamide
CID 155412139
4-[[1-(2,4-difluorophenyl)cyclopropyl]amino]-4-oxobutanoic acid
CID 110481806

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-difluorophenyl)oxan-4-yl]-3-(1H-indol-6-yl)urea?
The IUPAC name of 1-[4-(2,4-difluorophenyl)oxan-4-yl]-3-(1H-indol-6-yl)urea (CID 126785654) is 1-[4-(2,4-difluorophenyl)oxan-4-yl]-3-(1H-indol-6-yl)urea.
What is the SMILES notation for 1-[4-(2,4-difluorophenyl)oxan-4-yl]-3-(1H-indol-6-yl)urea?
The canonical SMILES for 1-[4-(2,4-difluorophenyl)oxan-4-yl]-3-(1H-indol-6-yl)urea is O=C(Nc1ccc2cc[nH]c2c1)NC1(c2ccc(F)cc2F)CCOCC1.
What is the InChIKey of 1-[4-(2,4-difluorophenyl)oxan-4-yl]-3-(1H-indol-6-yl)urea?
The InChIKey is MBTRJYUQLOTSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O2/c21-14-2-4-16(17(22)11-14)20(6-9-27-10-7-20)25-19(26)24-15-3-1-13-5-8-23-18(13)12-15/h1-5,8,11-12,23H,6-7,9-10H2,(H2,24,25,26).
What are the key properties of 1-[4-(2,4-difluorophenyl)oxan-4-yl]-3-(1H-indol-6-yl)urea?
1-[4-(2,4-difluorophenyl)oxan-4-yl]-3-(1H-indol-6-yl)urea has a molecular weight of 371.39 g/mol, XLogP of 4.27, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-difluorophenyl)oxan-4-yl]-3-(1H-indol-6-yl)urea is sourced from PubChem (CID 126785654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).