[(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea

C15H15FN2O — CID 1356900

IUPAC[(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea
SMILESCc1ccc([C@H](NC(N)=O)c2cccc(F)c2)cc1
InChIInChI=1S/C15H15FN2O/c1-10-5-7-11(8-6-10)14(18-15(17)19)12-3-2-4-13(16)9-12/h2-9,14H,1H3,(H3,17,18,19)/t14-/m0/s1
InChIKeyAPMMEUOURIWFJK-AWEZNQCLSA-N
MW258.30 g/mol
LogP2.89
Rot. Bonds3

About [(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea

[(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea (PubChem CID 1356900) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is [(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name[(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea
PubChem CID1356900
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name[(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea
SMILESCc1ccc([C@H](NC(N)=O)c2cccc(F)c2)cc1
InChIInChI=1S/C15H15FN2O/c1-10-5-7-11(8-6-10)14(18-15(17)19)12-3-2-4-13(16)9-12/h2-9,14H,1H3,(H3,17,18,19)/t14-/m0/s1
InChIKeyAPMMEUOURIWFJK-AWEZNQCLSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(3-fluorophenyl)-phenylmethyl]urea
CID 15151796
N-[(R)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide
CID 97041571
N-[(S)-(4-bromophenyl)-(3-fluorophenyl)methyl]acetamide
CID 97041570
(2S)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]propanamide
CID 8830029
4-fluoro-N-[2-[[(3-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide;4-fluoro-N-[2-[[(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]benzamide
CID 158545251
2-amino-2-(3-fluorophenyl)-N-[1-(4-methylphenyl)butyl]acetamide
CID 91108150
methyl 2-(3-fluorophenyl)-2-(4-methylanilino)acetate
CID 60991774
2-[1-(3-fluorophenyl)ethylamino]propanamide
CID 43400981
N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393342
cumene;1-fluoro-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene
CID 164524639
(2R)-2-[[(R)-(3-fluorophenyl)-phenylmethyl]carbamoylamino]-N,N-dimethylpropanamide
CID 97050764
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966

Frequently Asked Questions

What is the IUPAC name of [(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea?
The IUPAC name of [(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea (CID 1356900) is [(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea.
What is the SMILES notation for [(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea?
The canonical SMILES for [(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea is Cc1ccc([C@H](NC(N)=O)c2cccc(F)c2)cc1.
What is the InChIKey of [(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea?
The InChIKey is APMMEUOURIWFJK-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-5-7-11(8-6-10)14(18-15(17)19)12-3-2-4-13(16)9-12/h2-9,14H,1H3,(H3,17,18,19)/t14-/m0/s1.
What are the key properties of [(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea?
[(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea has a molecular weight of 258.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-(3-fluorophenyl)-(4-methylphenyl)methyl]urea is sourced from PubChem (CID 1356900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).