2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide

C12H16BrFN2O2 — CID 103750652

IUPAC2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNc1cc(F)ccc1Br
InChIInChI=1S/C12H16BrFN2O2/c1-8(7-18-2)16-12(17)6-15-11-5-9(14)3-4-10(11)13/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyQMZJNPLJZGWDNM-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.15
Rot. Bonds6

About 2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide

2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 103750652) has the molecular formula C12H16BrFN2O2 and a molecular weight of 319.17 g/mol. Its IUPAC name is 2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID103750652
Molecular FormulaC12H16BrFN2O2
Molecular Weight319.17 g/mol
Exact Mass318.04
IUPAC Name2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNc1cc(F)ccc1Br
InChIInChI=1S/C12H16BrFN2O2/c1-8(7-18-2)16-12(17)6-15-11-5-9(14)3-4-10(11)13/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyQMZJNPLJZGWDNM-UHFFFAOYSA-N
XLogP2.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 54957320
2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51728732
2-(5-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 54957373
2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 51252744
2-(5-bromo-4-fluoro-2-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 103238726
propan-2-yl 2-(2-bromo-5-fluoroanilino)acetate
CID 107635818
N-(2-bromo-5-fluorophenyl)-4-methoxy-3-methylbutanamide
CID 103753613
2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 79054522
2-(2-methoxyanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 55437645
1-(2-bromo-5-fluoroanilino)-3-methoxypropan-2-ol
CID 107636062
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94805815
2-bromo-5-fluoro-N-(2-methoxyethyl)aniline
CID 107635967

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide (CID 103750652) is 2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CNc1cc(F)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is QMZJNPLJZGWDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2/c1-8(7-18-2)16-12(17)6-15-11-5-9(14)3-4-10(11)13/h3-5,8,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide?
2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 319.17 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 103750652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).