N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide

C18H19BrN2O2 — CID 113000611

IUPACN-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
SMILESCc1cc(NC(=O)CNC(=O)Cc2ccccc2C)ccc1Br
InChIInChI=1S/C18H19BrN2O2/c1-12-5-3-4-6-14(12)10-17(22)20-11-18(23)21-15-7-8-16(19)13(2)9-15/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHRTFLMMZQYKHAB-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.36
Rot. Bonds5

About N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide

N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide (PubChem CID 113000611) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
PubChem CID113000611
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
SMILESCc1cc(NC(=O)CNC(=O)Cc2ccccc2C)ccc1Br
InChIInChI=1S/C18H19BrN2O2/c1-12-5-3-4-6-14(12)10-17(22)20-11-18(23)21-15-7-8-16(19)13(2)9-15/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHRTFLMMZQYKHAB-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996610
2-(2-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 112998185
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 113001362
N'-(4-bromo-3-methylphenyl)-N-[(2-chlorophenyl)methyl]propanediamide
CID 108946659
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998357
2-(2-bromophenyl)-N-[2-oxo-2-(4-propan-2-ylanilino)ethyl]acetamide
CID 112997204
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 9165169
(2S)-2-amino-N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-3-methylbutanamide
CID 81433320
N-(3-bromophenyl)-2-(2-methylphenyl)acetamide
CID 24705879
N-(3-bromo-4-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019343
N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylanilino)acetamide
CID 109007435
N-(4-bromo-3-methylphenyl)-3-[(2-fluorophenyl)methylamino]propanamide
CID 109020973

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide (CID 113000611) is N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide is Cc1cc(NC(=O)CNC(=O)Cc2ccccc2C)ccc1Br.
What is the InChIKey of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide?
The InChIKey is HRTFLMMZQYKHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-12-5-3-4-6-14(12)10-17(22)20-11-18(23)21-15-7-8-16(19)13(2)9-15/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide?
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide has a molecular weight of 375.27 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 113000611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).