N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide

C12H9BrClNO2 — CID 106690051

IUPACN-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide
SMILESO=C(Nc1ccc(CBr)cc1)c1ccc(Cl)o1
InChIInChI=1S/C12H9BrClNO2/c13-7-8-1-3-9(4-2-8)15-12(16)10-5-6-11(14)17-10/h1-6H,7H2,(H,15,16)
InChIKeyQFKAYHSXKODVDH-UHFFFAOYSA-N
MW314.57 g/mol
LogP4.08
Rot. Bonds3

About N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide

N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide (PubChem CID 106690051) has the molecular formula C12H9BrClNO2 and a molecular weight of 314.57 g/mol. Its IUPAC name is N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide
PubChem CID106690051
Molecular FormulaC12H9BrClNO2
Molecular Weight314.57 g/mol
Exact Mass312.95
IUPAC NameN-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide
SMILESO=C(Nc1ccc(CBr)cc1)c1ccc(Cl)o1
InChIInChI=1S/C12H9BrClNO2/c13-7-8-1-3-9(4-2-8)15-12(16)10-5-6-11(14)17-10/h1-6H,7H2,(H,15,16)
InChIKeyQFKAYHSXKODVDH-UHFFFAOYSA-N
XLogP4.08
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310818
N-(4-carbamothioylphenyl)-5-chlorofuran-2-carboxamide
CID 106684857
2-[4-[(5-chlorofuran-2-carbonyl)amino]phenoxy]acetic acid
CID 62033918
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
5-chloro-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]furan-2-carboxamide
CID 106685549
5-chloro-N-(2,3-dihydro-1H-indol-5-yl)furan-2-carboxamide
CID 55168567
5-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 17431155
1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119955465
5-chloro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]furan-2-carboxamide
CID 46537419
5-chloro-N-[3-(sulfamoylamino)phenyl]furan-2-carboxamide
CID 60727989
N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide
CID 71861123
N-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide
CID 113223158

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide?
The IUPAC name of N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide (CID 106690051) is N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide.
What is the SMILES notation for N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide?
The canonical SMILES for N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide is O=C(Nc1ccc(CBr)cc1)c1ccc(Cl)o1.
What is the InChIKey of N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide?
The InChIKey is QFKAYHSXKODVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO2/c13-7-8-1-3-9(4-2-8)15-12(16)10-5-6-11(14)17-10/h1-6H,7H2,(H,15,16).
What are the key properties of N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide?
N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide has a molecular weight of 314.57 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide is sourced from PubChem (CID 106690051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).