2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(2,6-dichlorophenyl)acetamide

C17H16Cl3FN2O — CID 86949913

IUPAC2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(2,6-dichlorophenyl)acetamide
SMILESCC(C)(NCC(=O)Nc1c(Cl)cccc1Cl)c1ccc(F)cc1Cl
InChIInChI=1S/C17H16Cl3FN2O/c1-17(2,11-7-6-10(21)8-14(11)20)22-9-15(24)23-16-12(18)4-3-5-13(16)19/h3-8,22H,9H2,1-2H3,(H,23,24)
InChIKeyJJZCKFFNMNEWIY-UHFFFAOYSA-N
MW389.69 g/mol
LogP5.25
Rot. Bonds5

About 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(2,6-dichlorophenyl)acetamide

2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(2,6-dichlorophenyl)acetamide (PubChem CID 86949913) has the molecular formula C17H16Cl3FN2O and a molecular weight of 389.69 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(2,6-dichlorophenyl)acetamide
PubChem CID86949913
Molecular FormulaC17H16Cl3FN2O
Molecular Weight389.69 g/mol
Exact Mass388.03
IUPAC Name2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(2,6-dichlorophenyl)acetamide
SMILESCC(C)(NCC(=O)Nc1c(Cl)cccc1Cl)c1ccc(F)cc1Cl
InChIInChI=1S/C17H16Cl3FN2O/c1-17(2,11-7-6-10(21)8-14(11)20)22-9-15(24)23-16-12(18)4-3-5-13(16)19/h3-8,22H,9H2,1-2H3,(H,23,24)
InChIKeyJJZCKFFNMNEWIY-UHFFFAOYSA-N
XLogP5.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.69
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43404197
2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]acetamide
CID 86951965
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2-(2-fluorophenyl)acetamide
CID 86948842
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79801477
2-[(2-chloro-4-fluorophenyl)sulfonyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 55559782
N-(2,6-dichlorophenyl)-2-(3-fluorophenyl)acetamide
CID 92647585
2-(5-chloro-2-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43408884
N-(2-chloro-4-fluorophenyl)-2-(2,6-dimethylanilino)acetamide
CID 51253129
2-(2,6-dichloroanilino)-N-(4-fluorophenyl)acetamide
CID 65469582
2-(3-chloro-2-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43408733
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2353255
N-[2-(2-chloro-4-fluorophenyl)propan-2-yl]-2,3-difluorobenzamide
CID 86948958

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(2,6-dichlorophenyl)acetamide (CID 86949913) is 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(2,6-dichlorophenyl)acetamide is CC(C)(NCC(=O)Nc1c(Cl)cccc1Cl)c1ccc(F)cc1Cl.
What is the InChIKey of 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is JJZCKFFNMNEWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3FN2O/c1-17(2,11-7-6-10(21)8-14(11)20)22-9-15(24)23-16-12(18)4-3-5-13(16)19/h3-8,22H,9H2,1-2H3,(H,23,24).
What are the key properties of 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(2,6-dichlorophenyl)acetamide?
2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 389.69 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-fluorophenyl)propan-2-ylamino]-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 86949913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).