N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide

C16H14BrF3N2O — CID 9369741

IUPACN-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1ccc(Br)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C16H14BrF3N2O/c1-9(12-4-3-11(18)7-13(12)19)21-8-16(23)22-15-5-2-10(17)6-14(15)20/h2-7,9,21H,8H2,1H3,(H,22,23)/t9-/m1/s1
InChIKeyBKJGJDIXVIQRTL-SECBINFHSA-N
MW387.20 g/mol
LogP4.16
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide

N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide (PubChem CID 9369741) has the molecular formula C16H14BrF3N2O and a molecular weight of 387.20 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
PubChem CID9369741
Molecular FormulaC16H14BrF3N2O
Molecular Weight387.20 g/mol
Exact Mass386.02
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
SMILESC[C@@H](NCC(=O)Nc1ccc(Br)cc1F)c1ccc(F)cc1F
InChIInChI=1S/C16H14BrF3N2O/c1-9(12-4-3-11(18)7-13(12)19)21-8-16(23)22-15-5-2-10(17)6-14(15)20/h2-7,9,21H,8H2,1H3,(H,22,23)/t9-/m1/s1
InChIKeyBKJGJDIXVIQRTL-SECBINFHSA-N
XLogP4.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.20
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369736
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9370429
2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 43466905
N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9370342
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369318
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9369627
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 9369894
N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376424
N-(4-bromo-2-fluorophenyl)-2-(butan-2-ylamino)acetamide
CID 54917740
2-[1-(4-bromo-2-fluorophenyl)ethylamino]-N-ethylacetamide
CID 82963648
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9369939
N-(2,6-difluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369757

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide (CID 9369741) is N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide is C[C@@H](NCC(=O)Nc1ccc(Br)cc1F)c1ccc(F)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide?
The InChIKey is BKJGJDIXVIQRTL-SECBINFHSA-N. The full InChI is InChI=1S/C16H14BrF3N2O/c1-9(12-4-3-11(18)7-13(12)19)21-8-16(23)22-15-5-2-10(17)6-14(15)20/h2-7,9,21H,8H2,1H3,(H,22,23)/t9-/m1/s1.
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide has a molecular weight of 387.20 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9369741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).