1-(4-chloro-2,6-difluoro-3-methylphenyl)-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea

C16H15ClF2N2O2 — CID 166228076

IUPAC1-(4-chloro-2,6-difluoro-3-methylphenyl)-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea
SMILESCc1c(Cl)cc(F)c(NC(=O)N[C@H](C)c2cccc(O)c2)c1F
InChIInChI=1S/C16H15ClF2N2O2/c1-8-12(17)7-13(18)15(14(8)19)21-16(23)20-9(2)10-4-3-5-11(22)6-10/h3-7,9,22H,1-2H3,(H2,20,21,23)/t9-/m1/s1
InChIKeyBLSOPMQOAMZNNU-SECBINFHSA-N
MW340.76 g/mol
LogP4.51
Rot. Bonds3

About 1-(4-chloro-2,6-difluoro-3-methylphenyl)-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea

1-(4-chloro-2,6-difluoro-3-methylphenyl)-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea (PubChem CID 166228076) has the molecular formula C16H15ClF2N2O2 and a molecular weight of 340.76 g/mol. Its IUPAC name is 1-(4-chloro-2,6-difluoro-3-methylphenyl)-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chloro-2,6-difluoro-3-methylphenyl)-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea
PubChem CID166228076
Molecular FormulaC16H15ClF2N2O2
Molecular Weight340.76 g/mol
Exact Mass340.08
IUPAC Name1-(4-chloro-2,6-difluoro-3-methylphenyl)-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea
SMILESCc1c(Cl)cc(F)c(NC(=O)N[C@H](C)c2cccc(O)c2)c1F
InChIInChI=1S/C16H15ClF2N2O2/c1-8-12(17)7-13(18)15(14(8)19)21-16(23)20-9(2)10-4-3-5-11(22)6-10/h3-7,9,22H,1-2H3,(H2,20,21,23)/t9-/m1/s1
InChIKeyBLSOPMQOAMZNNU-SECBINFHSA-N
XLogP4.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.76
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,3,4,5,6-pentafluorophenyl)urea
CID 51944325
1-[3-fluoro-4-[(R)-methylsulfinyl]phenyl]-3-[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 99818198
1-[(1R)-1-(3-bromophenyl)ethyl]-3-(2,6-difluorophenyl)urea
CID 51944481
1-[(1R)-1-(3-chlorophenyl)ethyl]-3-(2,4,6-trimethylphenyl)urea
CID 51944133
5,6-dichloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 61040655
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
1-[(1R)-1-(3-hydroxyphenyl)ethyl]-3-propylurea
CID 95239729
1-(2-chloro-6-fluorophenyl)-3-[1-(4-ethylphenyl)ethyl]urea
CID 108896439
1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-fluoro-2-methylphenyl)urea
CID 51945133
6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 61040520
1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea
CID 47103423
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-difluoro-3-methylphenyl)-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea?
The IUPAC name of 1-(4-chloro-2,6-difluoro-3-methylphenyl)-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea (CID 166228076) is 1-(4-chloro-2,6-difluoro-3-methylphenyl)-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-chloro-2,6-difluoro-3-methylphenyl)-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea?
The canonical SMILES for 1-(4-chloro-2,6-difluoro-3-methylphenyl)-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea is Cc1c(Cl)cc(F)c(NC(=O)N[C@H](C)c2cccc(O)c2)c1F.
What is the InChIKey of 1-(4-chloro-2,6-difluoro-3-methylphenyl)-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea?
The InChIKey is BLSOPMQOAMZNNU-SECBINFHSA-N. The full InChI is InChI=1S/C16H15ClF2N2O2/c1-8-12(17)7-13(18)15(14(8)19)21-16(23)20-9(2)10-4-3-5-11(22)6-10/h3-7,9,22H,1-2H3,(H2,20,21,23)/t9-/m1/s1.
What are the key properties of 1-(4-chloro-2,6-difluoro-3-methylphenyl)-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea?
1-(4-chloro-2,6-difluoro-3-methylphenyl)-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea has a molecular weight of 340.76 g/mol, XLogP of 4.51, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-difluoro-3-methylphenyl)-3-[(1R)-1-(3-hydroxyphenyl)ethyl]urea is sourced from PubChem (CID 166228076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).