N-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide

C17H16BrClF2N2O — CID 112809099

IUPACN-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide
SMILESCCC(NCC(=O)Nc1c(F)cc(F)cc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C17H16BrClF2N2O/c1-2-15(10-3-5-11(19)6-4-10)22-9-16(24)23-17-13(18)7-12(20)8-14(17)21/h3-8,15,22H,2,9H2,1H3,(H,23,24)
InChIKeyYEQRJPMQJBJTBT-UHFFFAOYSA-N
MW417.68 g/mol
LogP5.06
Rot. Bonds6

About N-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide

N-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide (PubChem CID 112809099) has the molecular formula C17H16BrClF2N2O and a molecular weight of 417.68 g/mol. Its IUPAC name is N-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide
PubChem CID112809099
Molecular FormulaC17H16BrClF2N2O
Molecular Weight417.68 g/mol
Exact Mass416.01
IUPAC NameN-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide
SMILESCCC(NCC(=O)Nc1c(F)cc(F)cc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C17H16BrClF2N2O/c1-2-15(10-3-5-11(19)6-4-10)22-9-16(24)23-17-13(18)7-12(20)8-14(17)21/h3-8,15,22H,2,9H2,1H3,(H,23,24)
InChIKeyYEQRJPMQJBJTBT-UHFFFAOYSA-N
XLogP5.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.68
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 9263412
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(4-chloro-2-fluorophenyl)acetamide
CID 9263707
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2,5-difluorophenyl)acetamide
CID 9263902
2-[1-(4-chlorophenyl)propylamino]-N-[(3,5-difluorophenyl)methyl]acetamide
CID 112841221
2-[1-(4-chlorophenyl)propylamino]-N-propylacetamide
CID 43403065
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263506
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(2-chlorophenyl)acetamide
CID 9263511
2-bromo-N-(2-bromo-4,6-difluorophenyl)butanamide
CID 62854822
N-(2-bromo-4,6-difluorophenyl)-2-(prop-2-ynylamino)acetamide
CID 112722692
2-anilino-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 60703391
2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-(3-methylphenyl)acetamide
CID 9263477
2-(butan-2-ylamino)-N-(2,6-dibromo-4-chlorophenyl)acetamide
CID 114209116

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide?
The IUPAC name of N-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide (CID 112809099) is N-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide.
What is the SMILES notation for N-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide?
The canonical SMILES for N-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide is CCC(NCC(=O)Nc1c(F)cc(F)cc1Br)c1ccc(Cl)cc1.
What is the InChIKey of N-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide?
The InChIKey is YEQRJPMQJBJTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClF2N2O/c1-2-15(10-3-5-11(19)6-4-10)22-9-16(24)23-17-13(18)7-12(20)8-14(17)21/h3-8,15,22H,2,9H2,1H3,(H,23,24).
What are the key properties of N-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide?
N-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide has a molecular weight of 417.68 g/mol, XLogP of 5.06, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,6-difluorophenyl)-2-[1-(4-chlorophenyl)propylamino]acetamide is sourced from PubChem (CID 112809099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).