2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide

C14H18ClFN2O2 — CID 113172392

IUPAC2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide
SMILESCC(=O)N(CC(=O)NC(C)(C)C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFN2O2/c1-9(19)18(8-13(20)17-14(2,3)4)10-5-6-12(16)11(15)7-10/h5-7H,8H2,1-4H3,(H,17,20)
InChIKeyPJXRAPFHIBAEQP-UHFFFAOYSA-N
MW300.76 g/mol
LogP2.75
Rot. Bonds3

About 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide

2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide (PubChem CID 113172392) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide
PubChem CID113172392
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide
SMILESCC(=O)N(CC(=O)NC(C)(C)C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H18ClFN2O2/c1-9(19)18(8-13(20)17-14(2,3)4)10-5-6-12(16)11(15)7-10/h5-7H,8H2,1-4H3,(H,17,20)
InChIKeyPJXRAPFHIBAEQP-UHFFFAOYSA-N
XLogP2.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113172454
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-(4-methoxyphenyl)acetamide
CID 113172443
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 113172371
2-(N-acetyl-3,4-dimethoxyanilino)-N-tert-butylacetamide
CID 113174873
2-(N-acetyl-4-bromoanilino)-N-tert-butylacetamide
CID 113172965
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide
CID 113178447
2-(N-acetyl-3,4-dichloroanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113179533
2-(3-acetamido-N-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 113175826
2-(N-acetyl-3,4-difluoroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113181670
2-(N-acetyl-4-fluoroanilino)-N-(2,4-dichlorophenyl)acetamide
CID 113171081
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113172485
2-(N-acetyl-3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide
CID 113172264

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide (CID 113172392) is 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide is CC(=O)N(CC(=O)NC(C)(C)C)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide?
The InChIKey is PJXRAPFHIBAEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-9(19)18(8-13(20)17-14(2,3)4)10-5-6-12(16)11(15)7-10/h5-7H,8H2,1-4H3,(H,17,20).
What are the key properties of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide?
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide has a molecular weight of 300.76 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-tert-butylacetamide is sourced from PubChem (CID 113172392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).