N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide

C16H15BrN2O3 — CID 26537380

IUPACN-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O3/c1-22-14-5-3-2-4-13(14)16(21)18-10-15(20)19-12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyDYYOLKCWMIDUAZ-UHFFFAOYSA-N
MW363.21 g/mol
LogP2.83
Rot. Bonds5

About N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide

N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide (PubChem CID 26537380) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide
PubChem CID26537380
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC NameN-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H15BrN2O3/c1-22-14-5-3-2-4-13(14)16(21)18-10-15(20)19-12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,21)(H,19,20)
InChIKeyDYYOLKCWMIDUAZ-UHFFFAOYSA-N
XLogP2.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-bromoanilino)-2-oxoethyl]benzamide
CID 46937197
N-[2-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 4311904
N-[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 40791696
N-[2-[2-[1-(4-bromophenyl)ethenyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 2195691
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-[2-(4-cyanoanilino)-2-oxoethyl]benzamide
CID 46937202
N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 2687892
N-[2-(2-ethylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 27762194
N-(4-bromophenyl)-2-(2-methoxyphenyl)acetamide
CID 2263112
2-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 47100986
2-methoxy-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 5020852
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 30055669
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26582702

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide (CID 26537380) is N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide?
The InChIKey is DYYOLKCWMIDUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-22-14-5-3-2-4-13(14)16(21)18-10-15(20)19-12-8-6-11(17)7-9-12/h2-9H,10H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide?
N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 363.21 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide is sourced from PubChem (CID 26537380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).