2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetamide

C13H11BrClN3O — CID 90041202

IUPAC2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetamide
SMILESNC(=O)C(Nc1cncc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11BrClN3O/c14-9-5-11(7-17-6-9)18-12(13(16)19)8-1-3-10(15)4-2-8/h1-7,12,18H,(H2,16,19)
InChIKeyIEYJJLZHQNFNIA-UHFFFAOYSA-N
MW340.61 g/mol
LogP3.14
Rot. Bonds4

About 2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetamide

2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetamide (PubChem CID 90041202) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetamide
PubChem CID90041202
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetamide
SMILESNC(=O)C(Nc1cncc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C13H11BrClN3O/c14-9-5-11(7-17-6-9)18-12(13(16)19)8-1-3-10(15)4-2-8/h1-7,12,18H,(H2,16,19)
InChIKeyIEYJJLZHQNFNIA-UHFFFAOYSA-N
XLogP3.14
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.61
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromoanilino)-2-(4-chlorophenyl)acetamide
CID 54891742
2-[[5-(3-chloro-4-fluorophenyl)-3-pyridinyl]amino]-2-phenylacetamide
CID 73330922
2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetonitrile
CID 90041010
2-(3-bromoanilino)-2-(4-propan-2-ylphenyl)acetamide
CID 61006544
2-[(5-bromo-3-pyridinyl)amino]-1-(4-chlorophenyl)ethanol
CID 113234114
2-(4-bromophenyl)-2-(4-chloroanilino)acetic acid
CID 54890320
2-(3-bromo-4-chloroanilino)-2-(3-chloro-4-fluorophenyl)acetamide
CID 81146753
2-(4-chloroanilino)-2-(6-methoxy-3-pyridinyl)acetamide
CID 114937350
(2S)-2-(4-chlorophenyl)-2-[[3,4-dioxo-2-(pyridin-4-ylamino)cyclobuten-1-yl]amino]acetamide
CID 25206882
(5-bromo-3-pyridinyl) 3-(4-chlorophenyl)-2-methylbutanoate
CID 174724919
2-(4-bromoanilino)-2-(4-iodophenyl)acetamide
CID 114283012
(2S)-2-(4-chlorophenyl)-2-[(6,7-difluoroquinoxalin-2-yl)amino]acetamide
CID 95776041

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetamide (CID 90041202) is 2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetamide is NC(=O)C(Nc1cncc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetamide?
The InChIKey is IEYJJLZHQNFNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c14-9-5-11(7-17-6-9)18-12(13(16)19)8-1-3-10(15)4-2-8/h1-7,12,18H,(H2,16,19).
What are the key properties of 2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetamide?
2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetamide has a molecular weight of 340.61 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 90041202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).