5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide

C12H9BrClNO2 — CID 675043

IUPAC5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C12H9BrClNO2/c1-7-8(14)3-2-4-9(7)15-12(16)10-5-6-11(13)17-10/h2-6H,1H3,(H,15,16)
InChIKeySEORHHLOOYKIQR-UHFFFAOYSA-N
MW314.57 g/mol
LogP4.26
Rot. Bonds2

About 5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide

5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide (PubChem CID 675043) has the molecular formula C12H9BrClNO2 and a molecular weight of 314.57 g/mol. Its IUPAC name is 5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
PubChem CID675043
Molecular FormulaC12H9BrClNO2
Molecular Weight314.57 g/mol
Exact Mass312.95
IUPAC Name5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C12H9BrClNO2/c1-7-8(14)3-2-4-9(7)15-12(16)10-5-6-11(13)17-10/h2-6H,1H3,(H,15,16)
InChIKeySEORHHLOOYKIQR-UHFFFAOYSA-N
XLogP4.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.57
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55786922
5-amino-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 82344269
(5-bromofuran-2-yl)-(3-chloro-2-methylphenyl)methanone
CID 107096201
N-(3-chloro-2-methylphenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415881
5-bromo-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17066185
5-bromo-N-(3-chloro-2-morpholin-4-ylphenyl)furan-2-carboxamide
CID 1017993
5-bromo-N-(2-ethylphenyl)furan-2-carboxamide
CID 835581
5-(benzenesulfonylmethyl)-N-(3-chloro-2-methylphenyl)furan-2-carboxamide
CID 26584463
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
CID 2671399
6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 103874055
N-(3-chloro-2-methylphenyl)-5-[(3-chlorophenoxy)methyl]furan-2-carboxamide
CID 19446073

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide (CID 675043) is 5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide is Cc1c(Cl)cccc1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide?
The InChIKey is SEORHHLOOYKIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO2/c1-7-8(14)3-2-4-9(7)15-12(16)10-5-6-11(13)17-10/h2-6H,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide?
5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide has a molecular weight of 314.57 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-chloro-2-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 675043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).