5-bromo-N-methyl-N-[2-[(4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide

C20H17BrN2O3 — CID 55786676

IUPAC5-bromo-N-methyl-N-[2-[(4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C20H17BrN2O3/c1-13-7-9-14(10-8-13)22-19(24)15-5-3-4-6-16(15)23(2)20(25)17-11-12-18(21)26-17/h3-12H,1-2H3,(H,22,24)
InChIKeyBAEZNSSMHTXMLE-UHFFFAOYSA-N
MW413.27 g/mol
LogP4.88
Rot. Bonds4

About 5-bromo-N-methyl-N-[2-[(4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-methyl-N-[2-[(4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 55786676) has the molecular formula C20H17BrN2O3 and a molecular weight of 413.27 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[2-[(4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-[2-[(4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID55786676
Molecular FormulaC20H17BrN2O3
Molecular Weight413.27 g/mol
Exact Mass412.04
IUPAC Name5-bromo-N-methyl-N-[2-[(4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C20H17BrN2O3/c1-13-7-9-14(10-8-13)22-19(24)15-5-3-4-6-16(15)23(2)20(25)17-11-12-18(21)26-17/h3-12H,1-2H3,(H,22,24)
InChIKeyBAEZNSSMHTXMLE-UHFFFAOYSA-N
XLogP4.88
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-[[4-(carbamoylamino)phenyl]methylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 112838198
5-bromo-N-[2-[(2,3-dimethylphenyl)carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55786558
5-bromo-N-methyl-N-[2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 46492499
5-bromo-N-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 4683297
N-[2-[[(2S)-1-aminopropan-2-yl]carbamoyl]phenyl]-5-bromo-N-methylfuran-2-carboxamide;hydrochloride
CID 120507749
5-bromo-N-methyl-N-[2-[3-(methylamino)propylcarbamoyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119432173
5-bromo-N-methyl-N-[2-(3-phenylprop-2-ynylcarbamoyl)phenyl]furan-2-carboxamide
CID 55929010
5-bromo-N-methyl-N-[2-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55967199
5-bromo-N-[2-[2-(2-fluorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55791443
5-bromo-N-[2-[[3-(3-cyanopropoxy)phenyl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 55993094
5-bromo-N-methyl-N-[2-(3-phenoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 55928894
5-bromo-N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoyl)phenyl]-N-methylfuran-2-carboxamide
CID 55965542

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[2-[(4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-[2-[(4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide (CID 55786676) is 5-bromo-N-methyl-N-[2-[(4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-[2-[(4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-[2-[(4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide is Cc1ccc(NC(=O)c2ccccc2N(C)C(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-methyl-N-[2-[(4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is BAEZNSSMHTXMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3/c1-13-7-9-14(10-8-13)22-19(24)15-5-3-4-6-16(15)23(2)20(25)17-11-12-18(21)26-17/h3-12H,1-2H3,(H,22,24).
What are the key properties of 5-bromo-N-methyl-N-[2-[(4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-methyl-N-[2-[(4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 413.27 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-[2-[(4-methylphenyl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 55786676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).