methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate

C13H11BrN2O4 — CID 106853285

IUPACmethyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)c2ccoc2Br)cc1
InChIInChI=1S/C13H11BrN2O4/c1-19-13(18)16-9-4-2-8(3-5-9)15-12(17)10-6-7-20-11(10)14/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyZKEUIHQZWXYPNZ-UHFFFAOYSA-N
MW339.15 g/mol
LogP3.47
Rot. Bonds3

About methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate

methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate (PubChem CID 106853285) has the molecular formula C13H11BrN2O4 and a molecular weight of 339.15 g/mol. Its IUPAC name is methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate
PubChem CID106853285
Molecular FormulaC13H11BrN2O4
Molecular Weight339.15 g/mol
Exact Mass337.99
IUPAC Namemethyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)c2ccoc2Br)cc1
InChIInChI=1S/C13H11BrN2O4/c1-19-13(18)16-9-4-2-8(3-5-9)15-12(17)10-6-7-20-11(10)14/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyZKEUIHQZWXYPNZ-UHFFFAOYSA-N
XLogP3.47
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-2-bromofuran-3-carboxamide
CID 106852251
2-bromo-N-(4-ethylsulfonylphenyl)furan-3-carboxamide
CID 106853117
2-bromo-N-[4-(2-chloroethyl)phenyl]furan-3-carboxamide
CID 106856118
2-bromo-N-(3-methylphenyl)furan-3-carboxamide
CID 106852319
5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid
CID 106851029
2-bromo-N-[4-(triazol-2-yl)phenyl]furan-3-carboxamide
CID 106853025
methyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate
CID 61213394
2-bromo-N-thiophen-3-ylfuran-3-carboxamide
CID 106854104
2-bromo-N-(6-bromonaphthalen-2-yl)furan-3-carboxamide
CID 106852301
2-bromo-N-(1H-pyrazol-4-yl)furan-3-carboxamide
CID 106852624
2-[(2-bromofuran-3-carbonyl)amino]-5-methoxybenzoic acid
CID 106851150
2-bromo-N-[4-(1H-pyrazol-5-yl)phenyl]furan-3-carboxamide
CID 106853299

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate (CID 106853285) is methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate is COC(=O)Nc1ccc(NC(=O)c2ccoc2Br)cc1.
What is the InChIKey of methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate?
The InChIKey is ZKEUIHQZWXYPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O4/c1-19-13(18)16-9-4-2-8(3-5-9)15-12(17)10-6-7-20-11(10)14/h2-7H,1H3,(H,15,17)(H,16,18).
What are the key properties of methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate?
methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate has a molecular weight of 339.15 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2-bromofuran-3-carbonyl)amino]phenyl]carbamate is sourced from PubChem (CID 106853285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).