2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide

C18H20ClFN2O2 — CID 54819041

IUPAC2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
SMILESCC(C)COc1cccc(NC(=O)CNc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H20ClFN2O2/c1-12(2)11-24-15-5-3-4-14(8-15)22-18(23)10-21-13-6-7-17(20)16(19)9-13/h3-9,12,21H,10-11H2,1-2H3,(H,22,23)
InChIKeyOFBWYFGKDNOZET-UHFFFAOYSA-N
MW350.82 g/mol
LogP4.56
Rot. Bonds7

About 2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide

2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide (PubChem CID 54819041) has the molecular formula C18H20ClFN2O2 and a molecular weight of 350.82 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
PubChem CID54819041
Molecular FormulaC18H20ClFN2O2
Molecular Weight350.82 g/mol
Exact Mass350.12
IUPAC Name2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
SMILESCC(C)COc1cccc(NC(=O)CNc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C18H20ClFN2O2/c1-12(2)11-24-15-5-3-4-14(8-15)22-18(23)10-21-13-6-7-17(20)16(19)9-13/h3-9,12,21H,10-11H2,1-2H3,(H,22,23)
InChIKeyOFBWYFGKDNOZET-UHFFFAOYSA-N
XLogP4.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.82
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
N-(3-chloro-2-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823958
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823168
2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830634
2-(3,4-dichloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54811762
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 9099614
2-(3-acetylanilino)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9084520
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
N-[3-[[2-(3-chloro-4-fluoroanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54818383
N-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820101

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide (CID 54819041) is 2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide is CC(C)COc1cccc(NC(=O)CNc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is OFBWYFGKDNOZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2/c1-12(2)11-24-15-5-3-4-14(8-15)22-18(23)10-21-13-6-7-17(20)16(19)9-13/h3-9,12,21H,10-11H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 350.82 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54819041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).