1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(4-methylphenyl)methyl]urea

C18H20F2N2O2 — CID 111751026

IUPAC1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC(C)C(O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O2/c1-11-3-5-13(6-4-11)10-21-18(24)22-12(2)17(23)14-7-8-15(19)16(20)9-14/h3-9,12,17,23H,10H2,1-2H3,(H2,21,22,24)
InChIKeyPTQXXLGNGOWPKE-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.19
Rot. Bonds5

About 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(4-methylphenyl)methyl]urea

1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 111751026) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

Compound Name1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(4-methylphenyl)methyl]urea
PubChem CID111751026
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(4-methylphenyl)methyl]urea
SMILESCc1ccc(CNC(=O)NC(C)C(O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H20F2N2O2/c1-11-3-5-13(6-4-11)10-21-18(24)22-12(2)17(23)14-7-8-15(19)16(20)9-14/h3-9,12,17,23H,10H2,1-2H3,(H2,21,22,24)
InChIKeyPTQXXLGNGOWPKE-UHFFFAOYSA-N
XLogP3.19
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111751041
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111751108
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea
CID 111751065
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 51291188
2-[(3,4-difluorophenyl)methylcarbamoylamino]propanoic acid
CID 54967577
(2S)-2-[(3,4-difluorophenyl)methylcarbamoylamino]-3-methylbutanamide
CID 119059639
1-[1-(3,4-difluorophenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 51274117
(2S)-2-[(4-methylphenyl)methylcarbamoylamino]propanoic acid
CID 5423731
1-[(1S)-1-[4-(carbamoylamino)phenyl]ethyl]-3-[(4-methylphenyl)methyl]urea
CID 94818960
1-(1,3-benzodioxol-5-ylmethyl)-3-[(1R)-1-(3,4-difluorophenyl)ethyl]urea
CID 27516317
3-[(4-methylphenyl)methylcarbamoylamino]butanoic acid
CID 61189759
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 111750886

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(4-methylphenyl)methyl]urea?
The IUPAC name of 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(4-methylphenyl)methyl]urea (CID 111751026) is 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(4-methylphenyl)methyl]urea.
What is the SMILES notation for 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(4-methylphenyl)methyl]urea?
The canonical SMILES for 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)NC(C)C(O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(4-methylphenyl)methyl]urea?
The InChIKey is PTQXXLGNGOWPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-11-3-5-13(6-4-11)10-21-18(24)22-12(2)17(23)14-7-8-15(19)16(20)9-14/h3-9,12,17,23H,10H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(4-methylphenyl)methyl]urea?
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 334.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 111751026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).