N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide

C14H20ClFN2O2 — CID 119586940

IUPACN-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide
SMILESCC(C)CC(CN)NC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H20ClFN2O2/c1-9(2)5-10(7-17)18-14(19)8-20-11-3-4-13(16)12(15)6-11/h3-4,6,9-10H,5,7-8,17H2,1-2H3,(H,18,19)
InChIKeyZCZSUWXJBDDMOQ-UHFFFAOYSA-N
MW302.78 g/mol
LogP2.35
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide

N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide (PubChem CID 119586940) has the molecular formula C14H20ClFN2O2 and a molecular weight of 302.78 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide
PubChem CID119586940
Molecular FormulaC14H20ClFN2O2
Molecular Weight302.78 g/mol
Exact Mass302.12
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide
SMILESCC(C)CC(CN)NC(=O)COc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H20ClFN2O2/c1-9(2)5-10(7-17)18-14(19)8-20-11-3-4-13(16)12(15)6-11/h3-4,6,9-10H,5,7-8,17H2,1-2H3,(H,18,19)
InChIKeyZCZSUWXJBDDMOQ-UHFFFAOYSA-N
XLogP2.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 119364207
N-(1-amino-4-methylpentan-2-yl)-2-(2,5-dichlorophenoxy)acetamide
CID 119585484
N-(1-amino-4-methylpentan-2-yl)-2-(4-methylphenoxy)acetamide
CID 119585848
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]propanediamide
CID 47155227
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 7751282
N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide
CID 119587183
(2S)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-N-ethylpropanamide
CID 9229551
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-2-phenylacetamide
CID 56811334
methyl (2R)-2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 9229576
2-(3-chloro-4-fluorophenoxy)-N-[2-(methylamino)propyl]acetamide
CID 120831240
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]-4-methoxybutanoic acid
CID 120702011
2-(3-chloro-4-fluorophenoxy)-N-(1-hydroxy-3-phenylbutan-2-yl)acetamide
CID 146087967

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide (CID 119586940) is N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide is CC(C)CC(CN)NC(=O)COc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide?
The InChIKey is ZCZSUWXJBDDMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2/c1-9(2)5-10(7-17)18-14(19)8-20-11-3-4-13(16)12(15)6-11/h3-4,6,9-10H,5,7-8,17H2,1-2H3,(H,18,19).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide?
N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide has a molecular weight of 302.78 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-(3-chloro-4-fluorophenoxy)acetamide is sourced from PubChem (CID 119586940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).