methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate

C15H16BrN3O4 — CID 87010073

IUPACmethyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(Br)o2)c1
InChIInChI=1S/C15H16BrN3O4/c1-19(9-12-6-7-13(16)23-12)14(20)17-10-4-3-5-11(8-10)18-15(21)22-2/h3-8H,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyOWHOLYAZDZYSOU-UHFFFAOYSA-N
MW382.21 g/mol
LogP3.88
Rot. Bonds4

About methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate

methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate (PubChem CID 87010073) has the molecular formula C15H16BrN3O4 and a molecular weight of 382.21 g/mol. Its IUPAC name is methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate
PubChem CID87010073
Molecular FormulaC15H16BrN3O4
Molecular Weight382.21 g/mol
Exact Mass381.03
IUPAC Namemethyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(Br)o2)c1
InChIInChI=1S/C15H16BrN3O4/c1-19(9-12-6-7-13(16)23-12)14(20)17-10-4-3-5-11(8-10)18-15(21)22-2/h3-8H,9H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyOWHOLYAZDZYSOU-UHFFFAOYSA-N
XLogP3.88
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.21
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-bromofuran-2-yl)methyl]-3-(3-fluorophenyl)-1-methylurea
CID 47192722
methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate
CID 51085537
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-naphthalen-2-ylurea
CID 78871745
N-[5-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]-2-methylphenyl]acetamide
CID 86994844
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea
CID 86995112
3-(3-aminophenyl)-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 43526496
1-[(5-bromofuran-2-yl)methyl]-3-(4-fluoro-2-methylphenyl)-1-methylurea
CID 47198462
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-pentylurea
CID 86998900
3-amino-N-[(5-bromofuran-2-yl)methyl]-N,2-dimethylbenzamide
CID 61108067
3,5-dibromo-N-[(5-bromofuran-2-yl)methyl]-N-methylbenzamide
CID 107980321
1-[(4-bromophenyl)methyl]-1-methyl-3-(3-methylphenyl)urea
CID 31770987
methyl N-[4-[[(2,3-dichlorophenyl)methyl-methylcarbamoyl]amino]phenyl]carbamate
CID 55819799

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate (CID 87010073) is methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate is COC(=O)Nc1cccc(NC(=O)N(C)Cc2ccc(Br)o2)c1.
What is the InChIKey of methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate?
The InChIKey is OWHOLYAZDZYSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O4/c1-19(9-12-6-7-13(16)23-12)14(20)17-10-4-3-5-11(8-10)18-15(21)22-2/h3-8H,9H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate?
methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate has a molecular weight of 382.21 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate is sourced from PubChem (CID 87010073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).