1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea

C17H16F4N2O2 — CID 51291188

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
SMILESCC(NC(=O)NCc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H16F4N2O2/c1-10(12-4-7-14(18)15(19)8-12)23-17(24)22-9-11-2-5-13(6-3-11)25-16(20)21/h2-8,10,16H,9H2,1H3,(H2,22,23,24)
InChIKeyDUNHMDLJGQUUEB-UHFFFAOYSA-N
MW356.32 g/mol
LogP4.13
Rot. Bonds6

About 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea

1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea (PubChem CID 51291188) has the molecular formula C17H16F4N2O2 and a molecular weight of 356.32 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
PubChem CID51291188
Molecular FormulaC17H16F4N2O2
Molecular Weight356.32 g/mol
Exact Mass356.11
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
SMILESCC(NC(=O)NCc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H16F4N2O2/c1-10(12-4-7-14(18)15(19)8-12)23-17(24)22-9-11-2-5-13(6-3-11)25-16(20)21/h2-8,10,16H,9H2,1H3,(H2,22,23,24)
InChIKeyDUNHMDLJGQUUEB-UHFFFAOYSA-N
XLogP4.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.32
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea with MolForge

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 78808643
3-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]propanamide
CID 86922906
1-[1-(3,4-difluorophenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 51274117
N-(2-amino-2-oxoethyl)-4-[[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoylamino]methyl]benzamide
CID 52509877
N-(2-amino-2-oxoethyl)-4-[[1-[4-(difluoromethoxy)phenyl]ethylcarbamoylamino]methyl]benzamide
CID 47066698
1-[3-(difluoromethoxy)phenyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 47039459
1-(1,3-benzodioxol-5-ylmethyl)-3-[(1R)-1-(3,4-difluorophenyl)ethyl]urea
CID 27516317
1-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(2-methylpropyl)urea
CID 51650211
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(4-methylphenyl)methyl]urea
CID 111751026
1-[(2-chlorophenyl)methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea
CID 42924591
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]urea
CID 49480430
N-[[4-(difluoromethoxy)phenyl]methyl]acetamide
CID 51072984

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea (CID 51291188) is 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea is CC(NC(=O)NCc1ccc(OC(F)F)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea?
The InChIKey is DUNHMDLJGQUUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O2/c1-10(12-4-7-14(18)15(19)8-12)23-17(24)22-9-11-2-5-13(6-3-11)25-16(20)21/h2-8,10,16H,9H2,1H3,(H2,22,23,24).
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea?
1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea has a molecular weight of 356.32 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-3-[1-(3,4-difluorophenyl)ethyl]urea is sourced from PubChem (CID 51291188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).