N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide

C18H19BrN2O2 — CID 113060356

IUPACN-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O2/c1-14(22)21(17-9-7-16(19)8-10-17)12-11-20-18(23)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyXOGPKWMBVCSXEZ-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.16
Rot. Bonds6

About N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide

N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide (PubChem CID 113060356) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
PubChem CID113060356
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide
SMILESCC(=O)N(CCNC(=O)Cc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C18H19BrN2O2/c1-14(22)21(17-9-7-16(19)8-10-17)12-11-20-18(23)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,23)
InChIKeyXOGPKWMBVCSXEZ-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-4-tert-butylanilino)ethyl]-2-phenylacetamide
CID 113059109
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-phenylacetamide
CID 113061825
N-[2-(N-acetyl-3-methylanilino)ethyl]-2-(4-bromophenyl)acetamide
CID 113057472
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-2-(4-bromophenyl)acetamide
CID 113062661
N-[2-(N-acetyl-4-bromoanilino)ethyl]-3-methylbutanamide
CID 113060337
N-[2-(N-acetyl-4-methylanilino)ethyl]-2-(2-bromophenyl)acetamide
CID 113057598
N-[2-(N-acetyl-2-ethylanilino)ethyl]-2-phenylacetamide
CID 113058316
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-phenylacetamide
CID 113063051
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'-(4-bromophenyl)-N'-methyl-2-phenylacetohydrazide
CID 768675
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-(2-fluorophenyl)acetamide
CID 113059334

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide (CID 113060356) is N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide is CC(=O)N(CCNC(=O)Cc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide?
The InChIKey is XOGPKWMBVCSXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-14(22)21(17-9-7-16(19)8-10-17)12-11-20-18(23)13-15-5-3-2-4-6-15/h2-10H,11-13H2,1H3,(H,20,23).
What are the key properties of N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide?
N-[2-(N-acetyl-4-bromoanilino)ethyl]-2-phenylacetamide has a molecular weight of 375.27 g/mol, XLogP of 3.16, 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-4-bromoanilino)ethyl]-2-phenylacetamide is sourced from PubChem (CID 113060356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).