N-[3-chloro-4-(3-fluorophenoxy)phenyl]-2-cyanoacetamide

C15H10ClFN2O2 — CID 168522857

IUPACN-[3-chloro-4-(3-fluorophenoxy)phenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(Oc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C15H10ClFN2O2/c16-13-9-11(19-15(20)6-7-18)4-5-14(13)21-12-3-1-2-10(17)8-12/h1-5,8-9H,6H2,(H,19,20)
InChIKeyTVZFSEUXLFCYDQ-UHFFFAOYSA-N
MW304.71 g/mol
LogP4.12
Rot. Bonds4

About N-[3-chloro-4-(3-fluorophenoxy)phenyl]-2-cyanoacetamide

N-[3-chloro-4-(3-fluorophenoxy)phenyl]-2-cyanoacetamide (PubChem CID 168522857) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is N-[3-chloro-4-(3-fluorophenoxy)phenyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(3-fluorophenoxy)phenyl]-2-cyanoacetamide
PubChem CID168522857
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC NameN-[3-chloro-4-(3-fluorophenoxy)phenyl]-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc(Oc2cccc(F)c2)c(Cl)c1
InChIInChI=1S/C15H10ClFN2O2/c16-13-9-11(19-15(20)6-7-18)4-5-14(13)21-12-3-1-2-10(17)8-12/h1-5,8-9H,6H2,(H,19,20)
InChIKeyTVZFSEUXLFCYDQ-UHFFFAOYSA-N
XLogP4.12
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
CID 3854691
N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide
CID 168524296
N-[3-bromo-4-(2,4-difluorophenoxy)phenyl]-2-cyanoacetamide
CID 168523728
2-chloro-N-[4-(3-fluorophenoxy)phenyl]acetamide
CID 39379903
N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine
CID 81154570
2-cyano-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide
CID 168520366
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2449668
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate
CID 55418940
2-[3-chloro-4-(difluoromethoxy)anilino]-N-(3-fluorophenyl)acetamide
CID 9103360
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
2-cyano-N-(4-naphthalen-2-yloxyphenyl)acetamide
CID 168522770

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(3-fluorophenoxy)phenyl]-2-cyanoacetamide?
The IUPAC name of N-[3-chloro-4-(3-fluorophenoxy)phenyl]-2-cyanoacetamide (CID 168522857) is N-[3-chloro-4-(3-fluorophenoxy)phenyl]-2-cyanoacetamide.
What is the SMILES notation for N-[3-chloro-4-(3-fluorophenoxy)phenyl]-2-cyanoacetamide?
The canonical SMILES for N-[3-chloro-4-(3-fluorophenoxy)phenyl]-2-cyanoacetamide is N#CCC(=O)Nc1ccc(Oc2cccc(F)c2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(3-fluorophenoxy)phenyl]-2-cyanoacetamide?
The InChIKey is TVZFSEUXLFCYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c16-13-9-11(19-15(20)6-7-18)4-5-14(13)21-12-3-1-2-10(17)8-12/h1-5,8-9H,6H2,(H,19,20).
What are the key properties of N-[3-chloro-4-(3-fluorophenoxy)phenyl]-2-cyanoacetamide?
N-[3-chloro-4-(3-fluorophenoxy)phenyl]-2-cyanoacetamide has a molecular weight of 304.71 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(3-fluorophenoxy)phenyl]-2-cyanoacetamide is sourced from PubChem (CID 168522857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).