1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea

C17H18F2N2O2 — CID 51983472

IUPAC1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NC[C@@H](O)c2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C17H18F2N2O2/c1-10-3-6-15(11(2)7-10)21-17(23)20-9-16(22)12-4-5-13(18)14(19)8-12/h3-8,16,22H,9H2,1-2H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyAHTRHSQOBJERJM-MRXNPFEDSA-N
MW320.34 g/mol
LogP3.44
Rot. Bonds4

About 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea

1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea (PubChem CID 51983472) has the molecular formula C17H18F2N2O2 and a molecular weight of 320.34 g/mol. Its IUPAC name is 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea
PubChem CID51983472
Molecular FormulaC17H18F2N2O2
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)NC[C@@H](O)c2ccc(F)c(F)c2)c(C)c1
InChIInChI=1S/C17H18F2N2O2/c1-10-3-6-15(11(2)7-10)21-17(23)20-9-16(22)12-4-5-13(18)14(19)8-12/h3-8,16,22H,9H2,1-2H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyAHTRHSQOBJERJM-MRXNPFEDSA-N
XLogP3.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methylphenyl)-3-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 51944865
1-(2,4-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 46494085
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide
CID 9376646
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(4-methoxy-2-methylphenyl)urea
CID 110924216
1-[4-(dimethylamino)-2-methylphenyl]-3-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 110891386
1-(2,3-difluorophenyl)-3-[2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 110908500
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
CID 51943967
1-[2-(4-chlorophenyl)-2-hydroxyethyl]-3-(2,4,6-trimethylphenyl)urea
CID 110890330
1-(3,4-dichlorophenyl)-3-[2-(3,4-difluorophenyl)-2-hydroxyethyl]urea
CID 42959006
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
CID 111452505
1-[(2,5-difluorophenyl)methyl]-3-(2,4-dimethylphenyl)urea
CID 3714808
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N'-(2,4-dimethylphenyl)oxamide
CID 90613590

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea?
The IUPAC name of 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea (CID 51983472) is 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea?
The canonical SMILES for 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea is Cc1ccc(NC(=O)NC[C@@H](O)c2ccc(F)c(F)c2)c(C)c1.
What is the InChIKey of 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea?
The InChIKey is AHTRHSQOBJERJM-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18F2N2O2/c1-10-3-6-15(11(2)7-10)21-17(23)20-9-16(22)12-4-5-13(18)14(19)8-12/h3-8,16,22H,9H2,1-2H3,(H2,20,21,23)/t16-/m1/s1.
What are the key properties of 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea?
1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea has a molecular weight of 320.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-3-(2,4-dimethylphenyl)urea is sourced from PubChem (CID 51983472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).