5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide

C19H15BrN2O3 — CID 1047401

IUPAC5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1
InChIInChI=1S/C19H15BrN2O3/c1-12-3-2-4-13(11-12)18(23)21-14-5-7-15(8-6-14)22-19(24)16-9-10-17(20)25-16/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyHZPLRGPGTAQQKT-UHFFFAOYSA-N
MW399.24 g/mol
LogP4.86
Rot. Bonds4

About 5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide

5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 1047401) has the molecular formula C19H15BrN2O3 and a molecular weight of 399.24 g/mol. Its IUPAC name is 5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID1047401
Molecular FormulaC19H15BrN2O3
Molecular Weight399.24 g/mol
Exact Mass398.03
IUPAC Name5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1
InChIInChI=1S/C19H15BrN2O3/c1-12-3-2-4-13(11-12)18(23)21-14-5-7-15(8-6-14)22-19(24)16-9-10-17(20)25-16/h2-11H,1H3,(H,21,23)(H,22,24)
InChIKeyHZPLRGPGTAQQKT-UHFFFAOYSA-N
XLogP4.86
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.24
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 46323224
5-bromo-N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]furan-2-carboxamide
CID 4503366
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861
N-(4-acetamidophenyl)-3-methylbenzamide
CID 730082
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
5-bromo-N-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55790317
5-bromo-N-[3-[[[2-(3-methylphenoxy)acetyl]amino]carbamoyl]phenyl]furan-2-carboxamide
CID 55786874
[3-[[3-[(5-bromofuran-2-carbonyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927816
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
CID 87724838
CID 87724838
3-methyl-N-[4-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 3426380

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide (CID 1047401) is 5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide is Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)c1.
What is the InChIKey of 5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is HZPLRGPGTAQQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O3/c1-12-3-2-4-13(11-12)18(23)21-14-5-7-15(8-6-14)22-19(24)16-9-10-17(20)25-16/h2-11H,1H3,(H,21,23)(H,22,24).
What are the key properties of 5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide?
5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 399.24 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1047401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).