N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide

C17H17BrN2O3 — CID 9089623

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2ccccc2Br)ccc1C
InChIInChI=1S/C17H17BrN2O3/c1-11-7-8-12(9-15(11)23-2)17(22)19-10-16(21)20-14-6-4-3-5-13(14)18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyDNNNVJXELMQCMP-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.13
Rot. Bonds5

About N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide

N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide (PubChem CID 9089623) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide
PubChem CID9089623
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2ccccc2Br)ccc1C
InChIInChI=1S/C17H17BrN2O3/c1-11-7-8-12(9-15(11)23-2)17(22)19-10-16(21)20-14-6-4-3-5-13(14)18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyDNNNVJXELMQCMP-UHFFFAOYSA-N
XLogP3.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-bromoanilino)-2-oxoethyl]-4-methoxy-3-nitrobenzamide
CID 7941785
N-[2-(2-bromoanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24681669
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 46665369
4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26707249
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27157902
N-(2-bromophenyl)-2-[[2-(2-methylphenoxy)acetyl]amino]acetamide
CID 8503107
N-[2-(2,5-dimethoxy-4-methylanilino)-2-oxoethyl]benzamide
CID 110792956
3-bromo-4-methoxy-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 24673626
N-[2-(2-bromoanilino)-2-oxoethyl]-1,3-benzothiazole-6-carboxamide
CID 26622964
N-(2-ethylphenyl)-3-methoxy-4-methylbenzamide
CID 16620352
N-[2-(2-chloroanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 9411325
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885360

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide (CID 9089623) is N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NCC(=O)Nc2ccccc2Br)ccc1C.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide?
The InChIKey is DNNNVJXELMQCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11-7-8-12(9-15(11)23-2)17(22)19-10-16(21)20-14-6-4-3-5-13(14)18/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide has a molecular weight of 377.24 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 9089623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).