2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide

C14H19Cl2FN2O — CID 9377861

IUPAC2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN[C@@H](C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2FN2O/c1-8(2)6-19-14(20)7-18-9(3)10-4-13(17)12(16)5-11(10)15/h4-5,8-9,18H,6-7H2,1-3H3,(H,19,20)/t9-/m0/s1
InChIKeyVKOSOSGZPXDJAH-VIFPVBQESA-N
MW321.22 g/mol
LogP3.56
Rot. Bonds6

About 2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide

2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide (PubChem CID 9377861) has the molecular formula C14H19Cl2FN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
PubChem CID9377861
Molecular FormulaC14H19Cl2FN2O
Molecular Weight321.22 g/mol
Exact Mass320.09
IUPAC Name2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN[C@@H](C)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2FN2O/c1-8(2)6-19-14(20)7-18-9(3)10-4-13(17)12(16)5-11(10)15/h4-5,8-9,18H,6-7H2,1-3H3,(H,19,20)/t9-/m0/s1
InChIKeyVKOSOSGZPXDJAH-VIFPVBQESA-N
XLogP3.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 8639848
2-[[2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetyl]amino]acetamide
CID 8639839
methyl 2-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]acetate
CID 43228865
N-(4-acetamidophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377778
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9377837
2-[1-(2-fluoro-4-hydroxyphenyl)ethylamino]-N-(2-methylpropyl)acetamide
CID 107715392
2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(phenylcarbamoyl)acetamide
CID 8639730
2-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9253724
N-(4-cyanophenyl)-2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377756
N-(3-acetylphenyl)-2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]acetamide
CID 9377442
2-[[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9377633
3-[1-(2,4-dichloro-5-fluorophenyl)ethylamino]-2-methylpropan-1-ol
CID 65032240

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide (CID 9377861) is 2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN[C@@H](C)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide?
The InChIKey is VKOSOSGZPXDJAH-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19Cl2FN2O/c1-8(2)6-19-14(20)7-18-9(3)10-4-13(17)12(16)5-11(10)15/h4-5,8-9,18H,6-7H2,1-3H3,(H,19,20)/t9-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide?
2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide has a molecular weight of 321.22 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 9377861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).