2-chloro-4-fluoro-N-[1-(2,2,2-trifluoroethoxy)butan-2-yl]benzamide

C13H14ClF4NO2 — CID 122151805

IUPAC2-chloro-4-fluoro-N-[1-(2,2,2-trifluoroethoxy)butan-2-yl]benzamide
SMILESCCC(COCC(F)(F)F)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H14ClF4NO2/c1-2-9(6-21-7-13(16,17)18)19-12(20)10-4-3-8(15)5-11(10)14/h3-5,9H,2,6-7H2,1H3,(H,19,20)
InChIKeyQAZOGZCODSWXJT-UHFFFAOYSA-N
MW327.71 g/mol
LogP3.57
Rot. Bonds6

About 2-chloro-4-fluoro-N-[1-(2,2,2-trifluoroethoxy)butan-2-yl]benzamide

2-chloro-4-fluoro-N-[1-(2,2,2-trifluoroethoxy)butan-2-yl]benzamide (PubChem CID 122151805) has the molecular formula C13H14ClF4NO2 and a molecular weight of 327.71 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[1-(2,2,2-trifluoroethoxy)butan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[1-(2,2,2-trifluoroethoxy)butan-2-yl]benzamide
PubChem CID122151805
Molecular FormulaC13H14ClF4NO2
Molecular Weight327.71 g/mol
Exact Mass327.06
IUPAC Name2-chloro-4-fluoro-N-[1-(2,2,2-trifluoroethoxy)butan-2-yl]benzamide
SMILESCCC(COCC(F)(F)F)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C13H14ClF4NO2/c1-2-9(6-21-7-13(16,17)18)19-12(20)10-4-3-8(15)5-11(10)14/h3-5,9H,2,6-7H2,1H3,(H,19,20)
InChIKeyQAZOGZCODSWXJT-UHFFFAOYSA-N
XLogP3.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.71
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminobutan-2-yl)-2-chloro-4-fluorobenzamide
CID 65193733
2,4-dichloro-N-pentan-3-ylbenzamide
CID 884996
4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93081059
N-[(2R)-1-aminopropan-2-yl]-2-chloro-4-fluorobenzamide
CID 104873137
2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 47112870
2-chloro-4-fluoro-N-(3-oxobutan-2-yl)benzamide
CID 64997029
2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
2-chloro-4,5-difluoro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93032296
4-bromo-2-chloro-N-(1-cyanobutan-2-yl)benzamide
CID 62646522
2-chloro-4-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750829
2-fluoro-N-(1-methoxybutan-2-yl)-3-(trifluoromethyl)benzamide
CID 79885627

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[1-(2,2,2-trifluoroethoxy)butan-2-yl]benzamide?
The IUPAC name of 2-chloro-4-fluoro-N-[1-(2,2,2-trifluoroethoxy)butan-2-yl]benzamide (CID 122151805) is 2-chloro-4-fluoro-N-[1-(2,2,2-trifluoroethoxy)butan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[1-(2,2,2-trifluoroethoxy)butan-2-yl]benzamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[1-(2,2,2-trifluoroethoxy)butan-2-yl]benzamide is CCC(COCC(F)(F)F)NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[1-(2,2,2-trifluoroethoxy)butan-2-yl]benzamide?
The InChIKey is QAZOGZCODSWXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF4NO2/c1-2-9(6-21-7-13(16,17)18)19-12(20)10-4-3-8(15)5-11(10)14/h3-5,9H,2,6-7H2,1H3,(H,19,20).
What are the key properties of 2-chloro-4-fluoro-N-[1-(2,2,2-trifluoroethoxy)butan-2-yl]benzamide?
2-chloro-4-fluoro-N-[1-(2,2,2-trifluoroethoxy)butan-2-yl]benzamide has a molecular weight of 327.71 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[1-(2,2,2-trifluoroethoxy)butan-2-yl]benzamide is sourced from PubChem (CID 122151805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).