2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide

C12H16ClFN2O2 — CID 51728732

IUPAC2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)CNc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O2/c1-8(7-18-2)16-12(17)6-15-11-4-3-9(14)5-10(11)13/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeyGNMRZSNOGSJKMW-MRVPVSSYSA-N
MW274.72 g/mol
LogP2.04
Rot. Bonds6

About 2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide

2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide (PubChem CID 51728732) has the molecular formula C12H16ClFN2O2 and a molecular weight of 274.72 g/mol. Its IUPAC name is 2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
PubChem CID51728732
Molecular FormulaC12H16ClFN2O2
Molecular Weight274.72 g/mol
Exact Mass274.09
IUPAC Name2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)CNc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O2/c1-8(7-18-2)16-12(17)6-15-11-4-3-9(14)5-10(11)13/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeyGNMRZSNOGSJKMW-MRVPVSSYSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 52.04
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-bromo-5-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 103750652
2-(4-chloro-2-methylanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51726773
2-(4-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 51252744
2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 9099533
2-(5-bromo-2-fluoroanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 54957373
2-(2-methoxyanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 55437645
2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 47123139
2-(2,4-difluorophenyl)sulfanyl-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 94805815
2-(2-chloro-3-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 113246770
2-(3-fluoro-5-methylanilino)-N-(1-methoxypropan-2-yl)acetamide
CID 79054522
3-(2-chloro-4-fluoroanilino)-N-propan-2-ylpropanamide
CID 62623790

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide (CID 51728732) is 2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide is COC[C@@H](C)NC(=O)CNc1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The InChIKey is GNMRZSNOGSJKMW-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16ClFN2O2/c1-8(7-18-2)16-12(17)6-15-11-4-3-9(14)5-10(11)13/h3-5,8,15H,6-7H2,1-2H3,(H,16,17)/t8-/m1/s1.
What are the key properties of 2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide?
2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide has a molecular weight of 274.72 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluoroanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 51728732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).