4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide

C24H24BrN3O3 — CID 34943710

IUPAC4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
SMILESO=C(CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)Nc1ccccc1Br
InChIInChI=1S/C24H24BrN3O3/c25-21-5-1-2-6-22(21)27-23(29)16-28(15-20-4-3-13-31-20)14-17-7-9-18(10-8-17)24(30)26-19-11-12-19/h1-10,13,19H,11-12,14-16H2,(H,26,30)(H,27,29)
InChIKeyJJWFXWXZIGYSLG-UHFFFAOYSA-N
MW482.38 g/mol
LogP4.58
Rot. Bonds9

About 4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide

4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide (PubChem CID 34943710) has the molecular formula C24H24BrN3O3 and a molecular weight of 482.38 g/mol. Its IUPAC name is 4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
PubChem CID34943710
Molecular FormulaC24H24BrN3O3
Molecular Weight482.38 g/mol
Exact Mass481.10
IUPAC Name4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
SMILESO=C(CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)Nc1ccccc1Br
InChIInChI=1S/C24H24BrN3O3/c25-21-5-1-2-6-22(21)27-23(29)16-28(15-20-4-3-13-31-20)14-17-7-9-18(10-8-17)24(30)26-19-11-12-19/h1-10,13,19H,11-12,14-16H2,(H,26,30)(H,27,29)
InChIKeyJJWFXWXZIGYSLG-UHFFFAOYSA-N
XLogP4.58
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.38
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[[[2-(2-ethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30798223
4-[[(2-bromophenyl)methyl-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34215979
N-cyclopropyl-4-[[[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34216209
N-cyclopropyl-4-[[[2-(2,4-difluoroanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 34943334
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(naphthalen-1-ylamino)-3-oxopropyl]amino]methyl]benzamide
CID 43065666
4-[[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 55557552
2-[[2-[[4-(cyclopropylcarbamoyl)phenyl]methyl-(furan-2-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 34943884
N-cyclopropyl-4-[[[2-(3,4-dimethoxyanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30798231
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]methyl]benzamide
CID 55591604
N-cyclopropyl-4-[[furan-2-ylmethyl-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]amino]methyl]benzamide
CID 30798285
N-cyclopropyl-4-[[(2-fluorophenyl)methyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 30891357

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide (CID 34943710) is 4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide is O=C(CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1)Nc1ccccc1Br.
What is the InChIKey of 4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide?
The InChIKey is JJWFXWXZIGYSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O3/c25-21-5-1-2-6-22(21)27-23(29)16-28(15-20-4-3-13-31-20)14-17-7-9-18(10-8-17)24(30)26-19-11-12-19/h1-10,13,19H,11-12,14-16H2,(H,26,30)(H,27,29).
What are the key properties of 4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide?
4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide has a molecular weight of 482.38 g/mol, XLogP of 4.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 34943710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).