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

C17H15N3O2 — CID 60568438

IUPAC1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESN#Cc1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1
InChIInChI=1S/C17H15N3O2/c18-10-11-5-7-13(8-6-11)19-17(22)20-16-14-4-2-1-3-12(14)9-15(16)21/h1-8,15-16,21H,9H2,(H2,19,20,22)/t15-,16+/m0/s1
InChIKeyDDJNNZCOGZEXJI-JKSUJKDBSA-N
MW293.33 g/mol
LogP2.34
Rot. Bonds2

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

1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (PubChem CID 60568438) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.

Molecular Properties

Compound Name1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
PubChem CID60568438
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
SMILESN#Cc1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1
InChIInChI=1S/C17H15N3O2/c18-10-11-5-7-13(8-6-11)19-17(22)20-16-14-4-2-1-3-12(14)9-15(16)21/h1-8,15-16,21H,9H2,(H2,19,20,22)/t15-,16+/m0/s1
InChIKeyDDJNNZCOGZEXJI-JKSUJKDBSA-N
XLogP2.34
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-pyridin-4-ylurea
CID 110895973
1-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-(triazol-1-yl)phenyl]urea
CID 99708845
1-(4-chloro-3-fluorophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 110907999
2-(4-cyanophenoxy)-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 110896882
3-cyano-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816870
1-(3-fluoro-4-methylsulfanylphenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 111475405
4-[[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]benzonitrile
CID 49463146
1-cyclopropyl-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea
CID 47374066
1-(4-cyanophenyl)-3-piperidin-4-ylurea
CID 43345800
1-(4-cyanophenyl)-3-(2-cyclopropylphenyl)urea
CID 6422377
N-(4-cyanophenyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260692
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]urea
CID 52860461

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The IUPAC name of 1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea (CID 60568438) is 1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea.
What is the SMILES notation for 1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The canonical SMILES for 1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is N#Cc1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
The InChIKey is DDJNNZCOGZEXJI-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H15N3O2/c18-10-11-5-7-13(8-6-11)19-17(22)20-16-14-4-2-1-3-12(14)9-15(16)21/h1-8,15-16,21H,9H2,(H2,19,20,22)/t15-,16+/m0/s1.
What are the key properties of 1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea?
1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea has a molecular weight of 293.33 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanophenyl)-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea is sourced from PubChem (CID 60568438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).