1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

C16H14ClFN2O2 — CID 110907999

IUPAC1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(Nc1ccc(Cl)c(F)c1)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C16H14ClFN2O2/c17-12-6-5-10(8-13(12)18)19-16(22)20-15-11-4-2-1-3-9(11)7-14(15)21/h1-6,8,14-15,21H,7H2,(H2,19,20,22)/t14-,15+/m0/s1
InChIKeyDEFMPJMEVKAEHO-LSDHHAIUSA-N
MW320.75 g/mol
LogP3.26
Rot. Bonds2

About 1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 110907999) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID110907999
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC Name1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESO=C(Nc1ccc(Cl)c(F)c1)N[C@@H]1c2ccccc2C[C@@H]1O
InChIInChI=1S/C16H14ClFN2O2/c17-12-6-5-10(8-13(12)18)19-16(22)20-15-11-4-2-1-3-9(11)7-14(15)21/h1-6,8,14-15,21H,7H2,(H2,19,20,22)/t14-,15+/m0/s1
InChIKeyDEFMPJMEVKAEHO-LSDHHAIUSA-N
XLogP3.26
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(4-chloro-3-fluorophenyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxamide
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1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
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1-(3-chloro-4-ethoxyphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
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1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-ylurea
CID 110895973
1-(3-chloro-2-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110922075
1-[2-chloro-5-(pentafluoro-λ6-sulfanyl)phenyl]-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 126667715
1-(2,4-difluorophenyl)-3-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)urea
CID 76869001
1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 60568438
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(3-propanoylphenyl)urea
CID 136532845
N-[(1R,2R)-2-[[[amino-[2-[[N'-[[(1R,2R)-1-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-2,3-dihydro-1H-inden-2-yl]methyl]carbamimidoyl]amino]ethylamino]methylidene]amino]methyl]-2,3-dihydro-1H-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)oxamide
CID 155396740
1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 75920789
2-[(1R,2R)-1-[[2-(4-chloro-3-fluoroanilino)-2-oxoacetyl]amino]-2,3-dihydro-1H-inden-2-yl]ethyl-(diaminomethylidene)azanium formate
CID 71718883

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 110907999) is 1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is O=C(Nc1ccc(Cl)c(F)c1)N[C@@H]1c2ccccc2C[C@@H]1O.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is DEFMPJMEVKAEHO-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c17-12-6-5-10(8-13(12)18)19-16(22)20-15-11-4-2-1-3-9(11)7-14(15)21/h1-6,8,14-15,21H,7H2,(H2,19,20,22)/t14-,15+/m0/s1.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 320.75 g/mol, XLogP of 3.26, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 110907999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).