N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide

C18H18BrFN2O2 — CID 113062661

IUPACN-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(Br)cc1)c1cccc(F)c1
InChIInChI=1S/C18H18BrFN2O2/c1-13(23)22(17-4-2-3-16(20)12-17)10-9-21-18(24)11-14-5-7-15(19)8-6-14/h2-8,12H,9-11H2,1H3,(H,21,24)
InChIKeyQGYBBGASFFUKPV-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.30
Rot. Bonds6

About N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide

N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide (PubChem CID 113062661) has the molecular formula C18H18BrFN2O2 and a molecular weight of 393.26 g/mol. Its IUPAC name is N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide
PubChem CID113062661
Molecular FormulaC18H18BrFN2O2
Molecular Weight393.26 g/mol
Exact Mass392.05
IUPAC NameN-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccc(Br)cc1)c1cccc(F)c1
InChIInChI=1S/C18H18BrFN2O2/c1-13(23)22(17-4-2-3-16(20)12-17)10-9-21-18(24)11-14-5-7-15(19)8-6-14/h2-8,12H,9-11H2,1H3,(H,21,24)
InChIKeyQGYBBGASFFUKPV-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide
CID 113057472
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113062642
N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
CID 113060356
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113062203
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-phenoxyacetamide
CID 113062635
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113062649
N-[2-(N-acetyl-4-methoxyanilino)ethyl]-2-(3-fluorophenyl)acetamide
CID 113060684
N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]-2-phenylacetamide
CID 113061443
N-[2-[N-acetyl-4-(dimethylamino)anilino]ethyl]-2-(4-fluorophenyl)acetamide
CID 113062183
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3-phenoxypropanamide
CID 113062638
N-[2-(N-acetyl-3,4-dimethoxyanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113061315
3-(N-acetyl-3-fluoroanilino)-N-pentylpropanamide
CID 113132410

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide?
The IUPAC name of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide (CID 113062661) is N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide is CC(=O)N(CCNC(=O)Cc1ccc(Br)cc1)c1cccc(F)c1.
What is the InChIKey of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide?
The InChIKey is QGYBBGASFFUKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O2/c1-13(23)22(17-4-2-3-16(20)12-17)10-9-21-18(24)11-14-5-7-15(19)8-6-14/h2-8,12H,9-11H2,1H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide?
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide has a molecular weight of 393.26 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 113062661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).