N-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]-2-(methylamino)acetamide

C15H13Cl2FN2O2 — CID 146657782

IUPACN-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc(Oc2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C15H13Cl2FN2O2/c1-19-8-15(21)20-9-2-5-14(13(18)6-9)22-10-3-4-11(16)12(17)7-10/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyVJYGDAUGGVHJPN-UHFFFAOYSA-N
MW343.19 g/mol
LogP4.08
Rot. Bonds5

About N-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]-2-(methylamino)acetamide

N-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]-2-(methylamino)acetamide (PubChem CID 146657782) has the molecular formula C15H13Cl2FN2O2 and a molecular weight of 343.19 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]-2-(methylamino)acetamide
PubChem CID146657782
Molecular FormulaC15H13Cl2FN2O2
Molecular Weight343.19 g/mol
Exact Mass342.03
IUPAC NameN-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc(Oc2ccc(Cl)c(Cl)c2)c(F)c1
InChIInChI=1S/C15H13Cl2FN2O2/c1-19-8-15(21)20-9-2-5-14(13(18)6-9)22-10-3-4-11(16)12(17)7-10/h2-7,19H,8H2,1H3,(H,20,21)
InChIKeyVJYGDAUGGVHJPN-UHFFFAOYSA-N
XLogP4.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide
CID 62813194
N-[3-fluoro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]acetamide
CID 139760288
2-(3,4-dichloroanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9098792
2-(5-chloro-2-methoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 109008877
N-(4-chloro-3-fluorophenyl)-2-methoxyacetamide
CID 60776246
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119718973
[2-(3,4-dichloroanilino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 8702259
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54810250
3-[4-[(2-carbamoyl-4-pyridinyl)oxy]-3-fluoroanilino]-3-oxopropanoic acid
CID 141149507

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]-2-(methylamino)acetamide?
The IUPAC name of N-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]-2-(methylamino)acetamide (CID 146657782) is N-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]-2-(methylamino)acetamide is CNCC(=O)Nc1ccc(Oc2ccc(Cl)c(Cl)c2)c(F)c1.
What is the InChIKey of N-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]-2-(methylamino)acetamide?
The InChIKey is VJYGDAUGGVHJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O2/c1-19-8-15(21)20-9-2-5-14(13(18)6-9)22-10-3-4-11(16)12(17)7-10/h2-7,19H,8H2,1H3,(H,20,21).
What are the key properties of N-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]-2-(methylamino)acetamide?
N-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]-2-(methylamino)acetamide has a molecular weight of 343.19 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenoxy)-3-fluorophenyl]-2-(methylamino)acetamide is sourced from PubChem (CID 146657782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).