1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea

C18H17ClFN3O2 — CID 92881472

IUPAC1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea
SMILESC[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H17ClFN3O2/c1-11(17(24)23-9-8-12-4-2-3-5-16(12)23)21-18(25)22-13-6-7-15(20)14(19)10-13/h2-7,10-11H,8-9H2,1H3,(H2,21,22,25)/t11-/m1/s1
InChIKeyDGTNDDZWXNKDIV-LLVKDONJSA-N
MW361.80 g/mol
LogP3.58
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea

1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea (PubChem CID 92881472) has the molecular formula C18H17ClFN3O2 and a molecular weight of 361.80 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea
PubChem CID92881472
Molecular FormulaC18H17ClFN3O2
Molecular Weight361.80 g/mol
Exact Mass361.10
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea
SMILESC[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C18H17ClFN3O2/c1-11(17(24)23-9-8-12-4-2-3-5-16(12)23)21-18(25)22-13-6-7-15(20)14(19)10-13/h2-7,10-11H,8-9H2,1H3,(H2,21,22,25)/t11-/m1/s1
InChIKeyDGTNDDZWXNKDIV-LLVKDONJSA-N
XLogP3.58
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea with MolForge

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Related Compounds

1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(3-fluoro-4-methylphenyl)urea
CID 46383450
N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108530542
1-(5-chloro-2-methoxyphenyl)-3-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea
CID 92881462
2-chloro-N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-6-fluorobenzamide
CID 110348128
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-methylurea
CID 46383472
1-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylphenyl)urea
CID 92881468
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,4-dimethylphenyl)urea
CID 92881495
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-ethylurea
CID 46383476
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2,3-dimethylphenyl)urea
CID 46383423
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea
CID 92881442
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methoxyphenyl)urea
CID 46383419
1-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-(2-methylpropyl)urea
CID 92881544

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea (CID 92881472) is 1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea is C[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)C(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea?
The InChIKey is DGTNDDZWXNKDIV-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17ClFN3O2/c1-11(17(24)23-9-8-12-4-2-3-5-16(12)23)21-18(25)22-13-6-7-15(20)14(19)10-13/h2-7,10-11H,8-9H2,1H3,(H2,21,22,25)/t11-/m1/s1.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea?
1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea has a molecular weight of 361.80 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]urea is sourced from PubChem (CID 92881472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).