4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

C20H18BrN3O3 — CID 54843018

IUPAC4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CNc1ccc(C(=O)NCc2ccco2)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C20H18BrN3O3/c21-15-3-1-4-17(11-15)24-19(25)13-22-16-8-6-14(7-9-16)20(26)23-12-18-5-2-10-27-18/h1-11,22H,12-13H2,(H,23,26)(H,24,25)
InChIKeyWFUPGMROGQWPFZ-UHFFFAOYSA-N
MW428.29 g/mol
LogP4.02
Rot. Bonds7

About 4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide

4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 54843018) has the molecular formula C20H18BrN3O3 and a molecular weight of 428.29 g/mol. Its IUPAC name is 4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID54843018
Molecular FormulaC20H18BrN3O3
Molecular Weight428.29 g/mol
Exact Mass427.05
IUPAC Name4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CNc1ccc(C(=O)NCc2ccco2)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C20H18BrN3O3/c21-15-3-1-4-17(11-15)24-19(25)13-22-16-8-6-14(7-9-16)20(26)23-12-18-5-2-10-27-18/h1-11,22H,12-13H2,(H,23,26)(H,24,25)
InChIKeyWFUPGMROGQWPFZ-UHFFFAOYSA-N
XLogP4.02
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-anilino-2-oxoethyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 54842827
N-tert-butyl-3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842839
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54831561
N-(furan-2-ylmethyl)-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810881
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N,N-dipropylbenzamide
CID 54843114
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54834582
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54843237
3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840551
N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54835380
4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54842948
N-(furan-2-ylmethyl)-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834687
3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839990

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 54843018) is 4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is O=C(CNc1ccc(C(=O)NCc2ccco2)cc1)Nc1cccc(Br)c1.
What is the InChIKey of 4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is WFUPGMROGQWPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O3/c21-15-3-1-4-17(11-15)24-19(25)13-22-16-8-6-14(7-9-16)20(26)23-12-18-5-2-10-27-18/h1-11,22H,12-13H2,(H,23,26)(H,24,25).
What are the key properties of 4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 428.29 g/mol, XLogP of 4.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 54843018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).