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

C20H18BrN3O3 — CID 54842948

IUPAC4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CNc1ccc(C(=O)NCc2ccco2)cc1)Nc1ccccc1Br
InChIInChI=1S/C20H18BrN3O3/c21-17-5-1-2-6-18(17)24-19(25)13-22-15-9-7-14(8-10-15)20(26)23-12-16-4-3-11-27-16/h1-11,22H,12-13H2,(H,23,26)(H,24,25)
InChIKeyHROZYWZYEXZBPF-UHFFFAOYSA-N
MW428.29 g/mol
LogP4.02
Rot. Bonds7

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

4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 54842948) has the molecular formula C20H18BrN3O3 and a molecular weight of 428.29 g/mol. Its IUPAC name is 4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID54842948
Molecular FormulaC20H18BrN3O3
Molecular Weight428.29 g/mol
Exact Mass427.05
IUPAC Name4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(CNc1ccc(C(=O)NCc2ccco2)cc1)Nc1ccccc1Br
InChIInChI=1S/C20H18BrN3O3/c21-17-5-1-2-6-18(17)24-19(25)13-22-15-9-7-14(8-10-15)20(26)23-12-16-4-3-11-27-16/h1-11,22H,12-13H2,(H,23,26)(H,24,25)
InChIKeyHROZYWZYEXZBPF-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
4-[[2-(3-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54843018
N-(furan-2-ylmethyl)-4-[[2-[4-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54835380
N-(furan-2-ylmethyl)-4-[[2-[4-(3-phenylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54839165
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54842956
N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide
CID 2452076
N-(furan-2-ylmethyl)-4-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54843141
N-(furan-2-ylmethyl)-4-[[2-[4-(2-methoxyethoxy)anilino]acetyl]amino]benzamide
CID 54822273
N-(furan-2-ylmethyl)-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824228
4-[[2-[4-[ethyl(phenyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54842807
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54831561
4-[[2-(4-butoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54820132

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 54842948) is 4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is O=C(CNc1ccc(C(=O)NCc2ccco2)cc1)Nc1ccccc1Br.
What is the InChIKey of 4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is HROZYWZYEXZBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O3/c21-17-5-1-2-6-18(17)24-19(25)13-22-15-9-7-14(8-10-15)20(26)23-12-16-4-3-11-27-16/h1-11,22H,12-13H2,(H,23,26)(H,24,25).
What are the key properties of 4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide?
4-[[2-(2-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-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 54842948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).