1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea

C16H15FN2O2 — CID 92713508

IUPAC1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)N[C@H]1COc2ccccc2C1
InChIInChI=1S/C16H15FN2O2/c17-12-5-7-13(8-6-12)18-16(20)19-14-9-11-3-1-2-4-15(11)21-10-14/h1-8,14H,9-10H2,(H2,18,19,20)/t14-/m1/s1
InChIKeyAKCIYOTUQUCMFC-CQSZACIVSA-N
MW286.31 g/mol
LogP2.95
Rot. Bonds2

About 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea

1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea (PubChem CID 92713508) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea
PubChem CID92713508
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea
SMILESO=C(Nc1ccc(F)cc1)N[C@H]1COc2ccccc2C1
InChIInChI=1S/C16H15FN2O2/c17-12-5-7-13(8-6-12)18-16(20)19-14-9-11-3-1-2-4-15(11)21-10-14/h1-8,14H,9-10H2,(H2,18,19,20)/t14-/m1/s1
InChIKeyAKCIYOTUQUCMFC-CQSZACIVSA-N
XLogP2.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-3-[(3S)-3,4-dihydro-2H-chromen-3-yl]urea
CID 92713549
1-(3,4-dihydro-2H-chromen-3-yl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 22580866
1-(3-acetylphenyl)-3-(3,4-dihydro-2H-chromen-3-yl)urea
CID 22580776
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(3-ethylphenyl)urea
CID 92713540
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(2,4,6-trimethylphenyl)urea
CID 92713528
1-(3,4-dihydro-2H-chromen-3-yl)-3-propylurea
CID 46357538
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-[[(3S)-3,4-dihydro-2H-chromen-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590872
1-(3,4-dihydro-2H-chromen-3-yl)-3-[2-(morpholin-4-ylmethyl)phenyl]urea
CID 118770631
N-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 141437976
N-[4-[[(3R)-3,4-dihydro-2H-chromen-3-yl]sulfamoyl]phenyl]acetamide
CID 94064827

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea (CID 92713508) is 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea is O=C(Nc1ccc(F)cc1)N[C@H]1COc2ccccc2C1.
What is the InChIKey of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea?
The InChIKey is AKCIYOTUQUCMFC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-12-5-7-13(8-6-12)18-16(20)19-14-9-11-3-1-2-4-15(11)21-10-14/h1-8,14H,9-10H2,(H2,18,19,20)/t14-/m1/s1.
What are the key properties of 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea?
1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea has a molecular weight of 286.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3,4-dihydro-2H-chromen-3-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 92713508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).