5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide

C15H15BrN2O3 — CID 7978577

IUPAC5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(CNC(=O)CNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C15H15BrN2O3/c1-10-2-4-11(5-3-10)8-17-14(19)9-18-15(20)12-6-7-13(16)21-12/h2-7H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyMJQCDWALYQHFMA-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.40
Rot. Bonds5

About 5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide

5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 7978577) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is 5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID7978577
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Name5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1ccc(CNC(=O)CNC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C15H15BrN2O3/c1-10-2-4-11(5-3-10)8-17-14(19)9-18-15(20)12-6-7-13(16)21-12/h2-7H,8-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyMJQCDWALYQHFMA-UHFFFAOYSA-N
XLogP2.40
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(2-methylprop-2-enylamino)-2-oxoethyl]furan-2-carboxamide
CID 114618727
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
5-bromo-N-[2-[2-[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24636708
5-bromo-N-[[4-(butanoylamino)phenyl]methyl]furan-2-carboxamide
CID 55781738
3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427115
5-bromo-N-[2-oxo-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]ethyl]furan-2-carboxamide
CID 27171752
4-fluoro-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 26850940
5-bromo-N-[2-(4-methylphenoxy)ethyl]furan-2-carboxamide
CID 18113432
5-bromo-N-[2-oxo-2-(4-propylanilino)ethyl]furan-2-carboxamide
CID 9294205
2-(4-methylphenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883797
5-bromo-N-[2-(1,3-dihydroxypropan-2-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 65309872
2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methylpropanoic acid
CID 61263565

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide (CID 7978577) is 5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide is Cc1ccc(CNC(=O)CNC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is MJQCDWALYQHFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-10-2-4-11(5-3-10)8-17-14(19)9-18-15(20)12-6-7-13(16)21-12/h2-7H,8-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide?
5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 351.20 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 7978577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).