N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide

C19H21BrN2O2 — CID 8503043

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2Br)cc1C
InChIInChI=1S/C19H21BrN2O2/c1-13-8-9-15(10-14(13)2)11-19(24)22(3)12-18(23)21-17-7-5-4-6-16(17)20/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyUKDDAAGSERQAQN-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.71
Rot. Bonds5

About N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide

N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide (PubChem CID 8503043) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
PubChem CID8503043
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2Br)cc1C
InChIInChI=1S/C19H21BrN2O2/c1-13-8-9-15(10-14(13)2)11-19(24)22(3)12-18(23)21-17-7-5-4-6-16(17)20/h4-10H,11-12H2,1-3H3,(H,21,23)
InChIKeyUKDDAAGSERQAQN-UHFFFAOYSA-N
XLogP3.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide (CID 8503043) is N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide is Cc1ccc(CC(=O)N(C)CC(=O)Nc2ccccc2Br)cc1C.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide?
The InChIKey is UKDDAAGSERQAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-13-8-9-15(10-14(13)2)11-19(24)22(3)12-18(23)21-17-7-5-4-6-16(17)20/h4-10H,11-12H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide has a molecular weight of 389.29 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 8503043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).