2-(3-bromo-4-methylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide

C17H18BrFN2O — CID 109000327

IUPAC2-(3-bromo-4-methylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESCc1ccc(NCC(=O)NCCc2ccccc2F)cc1Br
InChIInChI=1S/C17H18BrFN2O/c1-12-6-7-14(10-15(12)18)21-11-17(22)20-9-8-13-4-2-3-5-16(13)19/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)
InChIKeyUNFJGBUCGOXNSD-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.67
Rot. Bonds6

About 2-(3-bromo-4-methylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide

2-(3-bromo-4-methylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide (PubChem CID 109000327) has the molecular formula C17H18BrFN2O and a molecular weight of 365.25 g/mol. Its IUPAC name is 2-(3-bromo-4-methylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-methylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
PubChem CID109000327
Molecular FormulaC17H18BrFN2O
Molecular Weight365.25 g/mol
Exact Mass364.06
IUPAC Name2-(3-bromo-4-methylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
SMILESCc1ccc(NCC(=O)NCCc2ccccc2F)cc1Br
InChIInChI=1S/C17H18BrFN2O/c1-12-6-7-14(10-15(12)18)21-11-17(22)20-9-8-13-4-2-3-5-16(13)19/h2-7,10,21H,8-9,11H2,1H3,(H,20,22)
InChIKeyUNFJGBUCGOXNSD-UHFFFAOYSA-N
XLogP3.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000392
3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide
CID 81472463
2-(3-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000360
N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112993331
2-(3-acetamido-4-fluoroanilino)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 31773664
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
2-(3-bromo-4-methylanilino)-N-(2-cyanoethyl)acetamide
CID 63334311
4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 8643346
N-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 109000353
2-(3,5-dimethylanilino)-N-[(2-fluorophenyl)methyl]acetamide
CID 51225001
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-fluoro-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 579782

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3-bromo-4-methylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide (CID 109000327) is 2-(3-bromo-4-methylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-bromo-4-methylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-bromo-4-methylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide is Cc1ccc(NCC(=O)NCCc2ccccc2F)cc1Br.
What is the InChIKey of 2-(3-bromo-4-methylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
The InChIKey is UNFJGBUCGOXNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O/c1-12-6-7-14(10-15(12)18)21-11-17(22)20-9-8-13-4-2-3-5-16(13)19/h2-7,10,21H,8-9,11H2,1H3,(H,20,22).
What are the key properties of 2-(3-bromo-4-methylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide?
2-(3-bromo-4-methylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide has a molecular weight of 365.25 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 109000327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).