1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea

C19H20FN3O2 — CID 95347809

IUPAC1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea
SMILESCc1ccc(F)c(NC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H20FN3O2/c1-12-6-7-16(20)18(8-12)23-19(25)22-14(11-24)9-13-10-21-17-5-3-2-4-15(13)17/h2-8,10,14,21,24H,9,11H2,1H3,(H2,22,23,25)/t14-/m0/s1
InChIKeyNSHRLRHIUNOSIR-AWEZNQCLSA-N
MW341.39 g/mol
LogP3.34
Rot. Bonds5

About 1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea

1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea (PubChem CID 95347809) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea
PubChem CID95347809
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea
SMILESCc1ccc(F)c(NC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H20FN3O2/c1-12-6-7-16(20)18(8-12)23-19(25)22-14(11-24)9-13-10-21-17-5-3-2-4-15(13)17/h2-8,10,14,21,24H,9,11H2,1H3,(H2,22,23,25)/t14-/m0/s1
InChIKeyNSHRLRHIUNOSIR-AWEZNQCLSA-N
XLogP3.34
TPSA77.15 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1H-indole-2-carboxamide
CID 70718086
2-benzyl-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 10716621
N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 166232780
N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4,5-dimethylthiophene-2-carboxamide
CID 124516062
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
2-acetamido-N-(2-fluoro-5-methylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 78837538
(2S)-2-(benzylcarbamoylamino)-N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-methylpentanamide
CID 70001543
(2R)-N-(2,5-dimethylphenyl)-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanamide
CID 1104709
1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea
CID 95762546
2-(6-chloro-1H-indol-3-yl)-N-[1-hydroxy-3-(2-methylphenyl)propan-2-yl]acetamide
CID 119044814
(E)-3-(3,5-dichlorophenyl)-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]prop-2-enamide
CID 155946346
2-amino-3-(1H-indol-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 43841967

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea (CID 95347809) is 1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea is Cc1ccc(F)c(NC(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea?
The InChIKey is NSHRLRHIUNOSIR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-12-6-7-16(20)18(8-12)23-19(25)22-14(11-24)9-13-10-21-17-5-3-2-4-15(13)17/h2-8,10,14,21,24H,9,11H2,1H3,(H2,22,23,25)/t14-/m0/s1.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea?
1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea has a molecular weight of 341.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea is sourced from PubChem (CID 95347809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).