N-[2-(3-bromoanilino)-2-oxoethyl]-2-phenylacetamide

C16H15BrN2O2 — CID 2470173

IUPACN-[2-(3-bromoanilino)-2-oxoethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H15BrN2O2/c17-13-7-4-8-14(10-13)19-16(21)11-18-15(20)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,20)(H,19,21)
InChIKeyLVDMWEJDIVEFPL-UHFFFAOYSA-N
MW347.21 g/mol
LogP2.75
Rot. Bonds5

About N-[2-(3-bromoanilino)-2-oxoethyl]-2-phenylacetamide

N-[2-(3-bromoanilino)-2-oxoethyl]-2-phenylacetamide (PubChem CID 2470173) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is N-[2-(3-bromoanilino)-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3-bromoanilino)-2-oxoethyl]-2-phenylacetamide
PubChem CID2470173
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC NameN-[2-(3-bromoanilino)-2-oxoethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H15BrN2O2/c17-13-7-4-8-14(10-13)19-16(21)11-18-15(20)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,20)(H,19,21)
InChIKeyLVDMWEJDIVEFPL-UHFFFAOYSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Benzamide, N-(3-bromophenyl)-
CID 202396
3-benzyl-7-bromo-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 6472450
2-(benzylamino)-N-(2-bromo-4-methylphenyl)acetamide
CID 856355
N-(4-bromo-2-fluorophenyl)-4-phenylbutanamide
CID 885971
2-[benzyl(methylsulfonyl)amino]-N-(3-bromophenyl)acetamide
CID 1021180
N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 2468313
N-(1-benzyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide
CID 2969896
N-(3-bromophenyl)-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 3905761
N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrahydro-quinoxalin-5-ylmethyl)-3-phenyl-propionamide
CID 18706425
N-(7-Bromo-2,3-dioxo-1,2,3,4-tetrahydro-quinoxalin-5-ylmethyl)-2-phenyl-acetamide
CID 18706638
2-(4-bromophenyl)-2-(2-fluoroanilino)-1-[(2S)-2-(2-fluorophenyl)pyrrolidin-1-yl]ethanone
CID 59200611
n-(2-Anilino-2-oxoethyl)benzamide
CID 269632

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromoanilino)-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(3-bromoanilino)-2-oxoethyl]-2-phenylacetamide (CID 2470173) is N-[2-(3-bromoanilino)-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(3-bromoanilino)-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(3-bromoanilino)-2-oxoethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromoanilino)-2-oxoethyl]-2-phenylacetamide?
The InChIKey is LVDMWEJDIVEFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-13-7-4-8-14(10-13)19-16(21)11-18-15(20)9-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,18,20)(H,19,21).
What are the key properties of N-[2-(3-bromoanilino)-2-oxoethyl]-2-phenylacetamide?
N-[2-(3-bromoanilino)-2-oxoethyl]-2-phenylacetamide has a molecular weight of 347.21 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromoanilino)-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 2470173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).