1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea

C16H19BrN2O3 — CID 86995112

IUPAC1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccc(NC(=O)N(C)Cc2ccc(Br)o2)cc1
InChIInChI=1S/C16H19BrN2O3/c1-11(2)21-13-6-4-12(5-7-13)18-16(20)19(3)10-14-8-9-15(17)22-14/h4-9,11H,10H2,1-3H3,(H,18,20)
InChIKeyHOQGYVQDVQPUEW-UHFFFAOYSA-N
MW367.24 g/mol
LogP4.49
Rot. Bonds5

About 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea

1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea (PubChem CID 86995112) has the molecular formula C16H19BrN2O3 and a molecular weight of 367.24 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea
PubChem CID86995112
Molecular FormulaC16H19BrN2O3
Molecular Weight367.24 g/mol
Exact Mass366.06
IUPAC Name1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea
SMILESCC(C)Oc1ccc(NC(=O)N(C)Cc2ccc(Br)o2)cc1
InChIInChI=1S/C16H19BrN2O3/c1-11(2)21-13-6-4-12(5-7-13)18-16(20)19(3)10-14-8-9-15(17)22-14/h4-9,11H,10H2,1-3H3,(H,18,20)
InChIKeyHOQGYVQDVQPUEW-UHFFFAOYSA-N
XLogP4.49
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea
CID 78871745
2-[methyl-[(4-propan-2-yloxyphenyl)carbamoyl]amino]acetic acid
CID 43318594
1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
CID 47192722
1-(2-hydroxy-2-methylpropyl)-1-methyl-3-(4-propan-2-yloxyphenyl)urea
CID 111754633
4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]benzoic acid
CID 61198276
1-(2-hydroxypropyl)-1-propan-2-yl-3-(4-propan-2-yloxyphenyl)urea
CID 111754632
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
3-(4-chlorophenyl)-1-[[4-(difluoromethoxy)phenyl]methyl]-1-methylurea
CID 27868239
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
CID 28710622
(2R)-2-hydroxy-N-(4-propan-2-yloxyphenyl)propanamide
CID 94684359

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea (CID 86995112) is 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea is CC(C)Oc1ccc(NC(=O)N(C)Cc2ccc(Br)o2)cc1.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea?
The InChIKey is HOQGYVQDVQPUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3/c1-11(2)21-13-6-4-12(5-7-13)18-16(20)19(3)10-14-8-9-15(17)22-14/h4-9,11H,10H2,1-3H3,(H,18,20).
What are the key properties of 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea?
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea has a molecular weight of 367.24 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea is sourced from PubChem (CID 86995112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).