N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide

C17H17BrN2O3 — CID 113000525

IUPACN-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
SMILESCc1ccc(OCC(=O)NCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C17H17BrN2O3/c1-12-5-7-15(8-6-12)23-11-17(22)19-10-16(21)20-14-4-2-3-13(18)9-14/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyPCDHVPBVFZJTPU-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.89
Rot. Bonds6

About N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide

N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide (PubChem CID 113000525) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
PubChem CID113000525
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
SMILESCc1ccc(OCC(=O)NCC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C17H17BrN2O3/c1-12-5-7-15(8-6-12)23-11-17(22)19-10-16(21)20-14-4-2-3-13(18)9-14/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21)
InChIKeyPCDHVPBVFZJTPU-UHFFFAOYSA-N
XLogP2.89
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509
2-[[2-(4-bromophenoxy)acetyl]amino]-N-(3-nitrophenyl)acetamide
CID 71696136
3-[[2-(4-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164547
N-(3-fluorophenyl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]acetamide
CID 49335848
2-[4-[(1R)-1-aminoethyl]phenoxy]-N-(3-bromophenyl)acetamide
CID 78933587
N-(3-bromophenyl)-2-(2,5-dimethylphenoxy)acetamide
CID 17252160
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
N-[3-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)acetamide
CID 60629869
2-[(3-bromophenyl)carbamoylamino]-N-(4-methoxyphenyl)acetamide
CID 1055744
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 110370546
N-(2,3-dimethylphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 27808986

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide (CID 113000525) is N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide is Cc1ccc(OCC(=O)NCC(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide?
The InChIKey is PCDHVPBVFZJTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-12-5-7-15(8-6-12)23-11-17(22)19-10-16(21)20-14-4-2-3-13(18)9-14/h2-9H,10-11H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide?
N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide has a molecular weight of 377.24 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 113000525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).