N-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide

C17H14BrN3O3 — CID 2555736

IUPACN-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide
SMILESN#Cc1ccccc1OCC(=O)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C17H14BrN3O3/c18-13-6-2-3-7-14(13)21-16(22)10-20-17(23)11-24-15-8-4-1-5-12(15)9-19/h1-8H,10-11H2,(H,20,23)(H,21,22)
InChIKeyIBALOZBIAZCMQI-UHFFFAOYSA-N
MW388.22 g/mol
LogP2.45
Rot. Bonds6

About N-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide

N-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide (PubChem CID 2555736) has the molecular formula C17H14BrN3O3 and a molecular weight of 388.22 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide
PubChem CID2555736
Molecular FormulaC17H14BrN3O3
Molecular Weight388.22 g/mol
Exact Mass387.02
IUPAC NameN-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide
SMILESN#Cc1ccccc1OCC(=O)NCC(=O)Nc1ccccc1Br
InChIInChI=1S/C17H14BrN3O3/c18-13-6-2-3-7-14(13)21-16(22)10-20-17(23)11-24-15-8-4-1-5-12(15)9-19/h1-8H,10-11H2,(H,20,23)(H,21,22)
InChIKeyIBALOZBIAZCMQI-UHFFFAOYSA-N
XLogP2.45
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 8699125
N-(2-bromophenyl)-2-[[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 8503107
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-(2-bromophenyl)acetamide
CID 34648957
N-(2-bromophenyl)-2-(2-cyanoanilino)acetamide
CID 28580893
2-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 7560509
[2-[[2-(2-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 27914629
2-(2-cyanophenoxy)-N-(2-phenylphenyl)acetamide
CID 7696058
N-(2-aminoethyl)-2-(2-cyanophenoxy)acetamide
CID 12841749
N-(3-bromo-4-methylphenyl)-2-(2-cyanophenoxy)acetamide
CID 7382555
1-[2-[2-[2-(2-cyanophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 18292956
methyl 3-[[2-(2-cyanophenoxy)acetyl]amino]-4-methylbenzoate
CID 7382502
2-(2-cyanophenoxy)-N-(4,5-dimethoxy-2-methylphenyl)acetamide
CID 42085793

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide (CID 2555736) is N-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide is N#Cc1ccccc1OCC(=O)NCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide?
The InChIKey is IBALOZBIAZCMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3/c18-13-6-2-3-7-14(13)21-16(22)10-20-17(23)11-24-15-8-4-1-5-12(15)9-19/h1-8H,10-11H2,(H,20,23)(H,21,22).
What are the key properties of N-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide?
N-(2-bromophenyl)-2-[[2-(2-cyanophenoxy)acetyl]amino]acetamide has a molecular weight of 388.22 g/mol, XLogP of 2.45, 6 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-(2-cyanophenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 2555736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).