N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide

C14H14BrNO2 — CID 103581989

IUPACN-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C14H14BrNO2/c1-8-4-5-18-13(8)14(17)16-11-6-9(2)12(15)10(3)7-11/h4-7H,1-3H3,(H,16,17)
InChIKeyDNWRYGFKUYXDST-UHFFFAOYSA-N
MW308.18 g/mol
LogP4.22
Rot. Bonds2

About N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide

N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide (PubChem CID 103581989) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide
PubChem CID103581989
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C14H14BrNO2/c1-8-4-5-18-13(8)14(17)16-11-6-9(2)12(15)10(3)7-11/h4-7H,1-3H3,(H,16,17)
InChIKeyDNWRYGFKUYXDST-UHFFFAOYSA-N
XLogP4.22
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(3-methylphenyl)furan-2-carboxamide
CID 38770464
N-(4-bromo-2,6-dimethylphenyl)-3-methylfuran-2-carboxamide
CID 60794252
N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 16772874
N-(3-iodophenyl)-3-methylfuran-2-carboxamide
CID 27445102
N-(4-ethylphenyl)-3-methylfuran-2-carboxamide
CID 18106134
3-methyl-N-(4-propan-2-yloxyphenyl)furan-2-carboxamide
CID 110695656
N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide
CID 116813642
N-(4-aminophenyl)-5-bromofuran-2-carboxamide;N-(4-aminophenyl)-3-methylfuran-2-carboxamide
CID 159467877
N-(3-cyano-4-fluorophenyl)-3-methylfuran-2-carboxamide
CID 62315619
3-methyl-N-[3-(sulfamoylamino)phenyl]furan-2-carboxamide
CID 60728536
2-methyl-2-[4-[(3-methylfuran-2-carbonyl)amino]phenyl]propanoic acid
CID 80549404
3-[2-methyl-5-[(3-methylfuran-2-carbonyl)amino]phenyl]prop-2-enoic acid
CID 77011731

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide (CID 103581989) is N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1cc(C)c(Br)c(C)c1.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide?
The InChIKey is DNWRYGFKUYXDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c1-8-4-5-18-13(8)14(17)16-11-6-9(2)12(15)10(3)7-11/h4-7H,1-3H3,(H,16,17).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide?
N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-3-methylfuran-2-carboxamide is sourced from PubChem (CID 103581989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).