N-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

C24H23BrN2O5 — CID 24681669

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2ccccc2Br)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C24H23BrN2O5/c1-30-20-12-17(13-21(31-2)23(20)32-15-16-8-4-3-5-9-16)24(29)26-14-22(28)27-19-11-7-6-10-18(19)25/h3-13H,14-15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyWIJACIRPDFEZBZ-UHFFFAOYSA-N
MW499.36 g/mol
LogP4.41
Rot. Bonds9

About N-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

N-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (PubChem CID 24681669) has the molecular formula C24H23BrN2O5 and a molecular weight of 499.36 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
PubChem CID24681669
Molecular FormulaC24H23BrN2O5
Molecular Weight499.36 g/mol
Exact Mass498.08
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2ccccc2Br)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C24H23BrN2O5/c1-30-20-12-17(13-21(31-2)23(20)32-15-16-8-4-3-5-9-16)24(29)26-14-22(28)27-19-11-7-6-10-18(19)25/h3-13H,14-15H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyWIJACIRPDFEZBZ-UHFFFAOYSA-N
XLogP4.41
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.36
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 27760684
N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide
CID 9089623
N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24512905
N-(2-bromophenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 1288452
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24517194
N-(4-bromophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 16567430
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26707249
3-bromo-5-methoxy-N-(3-methoxypropyl)-4-phenylmethoxybenzamide
CID 4602601
methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate
CID 16567479
N-[2-(2-bromoanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide
CID 7941785
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-phenylmethoxybenzamide
CID 46551015

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (CID 24681669) is N-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)NCC(=O)Nc2ccccc2Br)cc(OC)c1OCc1ccccc1.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The InChIKey is WIJACIRPDFEZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O5/c1-30-20-12-17(13-21(31-2)23(20)32-15-16-8-4-3-5-9-16)24(29)26-14-22(28)27-19-11-7-6-10-18(19)25/h3-13H,14-15H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide has a molecular weight of 499.36 g/mol, XLogP of 4.41, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 24681669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).