N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide

C16H11Cl2FN2O2 — CID 9246074

IUPACN-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESN#C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H11Cl2FN2O2/c17-11-3-6-15(13(18)7-11)23-9-16(22)21-14(8-20)10-1-4-12(19)5-2-10/h1-7,14H,9H2,(H,21,22)/t14-/m0/s1
InChIKeyMJBACXFKYJYKTE-AWEZNQCLSA-N
MW353.18 g/mol
LogP3.89
Rot. Bonds5

About N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide

N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 9246074) has the molecular formula C16H11Cl2FN2O2 and a molecular weight of 353.18 g/mol. Its IUPAC name is N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID9246074
Molecular FormulaC16H11Cl2FN2O2
Molecular Weight353.18 g/mol
Exact Mass352.02
IUPAC NameN-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide
SMILESN#C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C16H11Cl2FN2O2/c17-11-3-6-15(13(18)7-11)23-9-16(22)21-14(8-20)10-1-4-12(19)5-2-10/h1-7,14H,9H2,(H,21,22)/t14-/m0/s1
InChIKeyMJBACXFKYJYKTE-AWEZNQCLSA-N
XLogP3.89
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]acetamide
CID 70091685
N-[cyano(propan-2-yloxy)methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 139932008
N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(3-fluorophenoxy)acetamide
CID 9246224
2-(2,4-dichlorophenoxy)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 94223668
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 2500780
2-(2,4-dichlorophenoxy)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 99993663
2-(2-chloro-4-cyanophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide
CID 8977221
2-(2,4-dichlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086752
2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 595733
2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 667961
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94050777
(2R)-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-3-sulfanylpropanoic acid
CID 22217276

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide (CID 9246074) is N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide is N#C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is MJBACXFKYJYKTE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H11Cl2FN2O2/c17-11-3-6-15(13(18)7-11)23-9-16(22)21-14(8-20)10-1-4-12(19)5-2-10/h1-7,14H,9H2,(H,21,22)/t14-/m0/s1.
What are the key properties of N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide?
N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 353.18 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 9246074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).