1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea

C15H10ClF5N2O — CID 51944325

IUPAC1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
SMILESC[C@@H](NC(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1cccc(Cl)c1
InChIInChI=1S/C15H10ClF5N2O/c1-6(7-3-2-4-8(16)5-7)22-15(24)23-14-12(20)10(18)9(17)11(19)13(14)21/h2-6H,1H3,(H2,22,23,24)/t6-/m1/s1
InChIKeyFHUILMHLRRCJAQ-ZCFIWIBFSA-N
MW364.70 g/mol
LogP4.92
Rot. Bonds3

About 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea

1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea (PubChem CID 51944325) has the molecular formula C15H10ClF5N2O and a molecular weight of 364.70 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea.

Molecular Properties

Compound Name1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
PubChem CID51944325
Molecular FormulaC15H10ClF5N2O
Molecular Weight364.70 g/mol
Exact Mass364.04
IUPAC Name1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
SMILESC[C@@H](NC(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1cccc(Cl)c1
InChIInChI=1S/C15H10ClF5N2O/c1-6(7-3-2-4-8(16)5-7)22-15(24)23-14-12(20)10(18)9(17)11(19)13(14)21/h2-6H,1H3,(H2,22,23,24)/t6-/m1/s1
InChIKeyFHUILMHLRRCJAQ-ZCFIWIBFSA-N
XLogP4.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.70
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 51944133
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-fluoro-2-methylphenyl)urea
CID 51945133
1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea
CID 47103423
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2,3,4,5,6-pentafluorophenyl)sulfanylacetamide
CID 7467431
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
1-[1-(3-chlorophenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47134201
1-(3-chlorophenyl)-3-[(1R)-1-(4-fluorophenyl)ethyl]urea
CID 27868351
1-[1-(3-chlorophenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168567
1-[1-(3-chlorophenyl)ethyl]-3-[4-(difluoromethylsulfonyl)phenyl]urea
CID 47032730
1-(4-chloro-2,6-difluoro-3-methylphenyl)-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea
CID 166228076
1-[1-(3-chlorophenyl)ethyl]-3-pentan-2-ylurea
CID 42952666

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea?
The IUPAC name of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea (CID 51944325) is 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea.
What is the SMILES notation for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea?
The canonical SMILES for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea is C[C@@H](NC(=O)Nc1c(F)c(F)c(F)c(F)c1F)c1cccc(Cl)c1.
What is the InChIKey of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea?
The InChIKey is FHUILMHLRRCJAQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C15H10ClF5N2O/c1-6(7-3-2-4-8(16)5-7)22-15(24)23-14-12(20)10(18)9(17)11(19)13(14)21/h2-6H,1H3,(H2,22,23,24)/t6-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea?
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea has a molecular weight of 364.70 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea is sourced from PubChem (CID 51944325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).