N-(2-bromophenyl)-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]acetamide

C16H18BrN3O3 — CID 8620903

IUPACN-(2-bromophenyl)-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]acetamide
SMILESCN(CC(=O)NCC(=O)Nc1ccccc1Br)Cc1ccco1
InChIInChI=1S/C16H18BrN3O3/c1-20(10-12-5-4-8-23-12)11-16(22)18-9-15(21)19-14-7-3-2-6-13(14)17/h2-8H,9-11H2,1H3,(H,18,22)(H,19,21)
InChIKeyGUWIXKLNXNXBFZ-UHFFFAOYSA-N
MW380.24 g/mol
LogP2.23
Rot. Bonds7

About N-(2-bromophenyl)-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]acetamide

N-(2-bromophenyl)-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]acetamide (PubChem CID 8620903) has the molecular formula C16H18BrN3O3 and a molecular weight of 380.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]acetamide
PubChem CID8620903
Molecular FormulaC16H18BrN3O3
Molecular Weight380.24 g/mol
Exact Mass379.05
IUPAC NameN-(2-bromophenyl)-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]acetamide
SMILESCN(CC(=O)NCC(=O)Nc1ccccc1Br)Cc1ccco1
InChIInChI=1S/C16H18BrN3O3/c1-20(10-12-5-4-8-23-12)11-16(22)18-9-15(21)19-14-7-3-2-6-13(14)17/h2-8H,9-11H2,1H3,(H,18,22)(H,19,21)
InChIKeyGUWIXKLNXNXBFZ-UHFFFAOYSA-N
XLogP2.23
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[furan-2-ylmethyl(methyl)amino]-N-(2-iodophenyl)acetamide
CID 9334115
N-(2-bromophenyl)-2-(furan-2-ylmethylamino)acetamide
CID 2452076
N-(2-bromophenyl)-2-(furan-2-yl)acetamide
CID 110690737
N-[2-(2-bromoanilino)-2-oxoethyl]-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 4779798
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 47104711
N-(5-amino-2-methylphenyl)-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 43526619
N-(2-bromophenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetamide
CID 24681132
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78788147
4-[[2-(2-bromoanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54842948
N-(2-bromophenyl)-3-(furan-2-ylmethylamino)propanamide
CID 109018711
N-benzhydryl-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333528
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 4820792

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]acetamide (CID 8620903) is N-(2-bromophenyl)-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]acetamide is CN(CC(=O)NCC(=O)Nc1ccccc1Br)Cc1ccco1.
What is the InChIKey of N-(2-bromophenyl)-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]acetamide?
The InChIKey is GUWIXKLNXNXBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3/c1-20(10-12-5-4-8-23-12)11-16(22)18-9-15(21)19-14-7-3-2-6-13(14)17/h2-8H,9-11H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-(2-bromophenyl)-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]acetamide?
N-(2-bromophenyl)-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]acetamide has a molecular weight of 380.24 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]acetamide is sourced from PubChem (CID 8620903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).