N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide

C19H16BrN3O — CID 113033886

IUPACN-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(Nc2ccc(Br)cc2)cn1
InChIInChI=1S/C19H16BrN3O/c20-15-6-8-16(9-7-15)22-17-10-11-18(21-13-17)23-19(24)12-14-4-2-1-3-5-14/h1-11,13,22H,12H2,(H,21,23,24)
InChIKeyYODVNFKCVROMLJ-UHFFFAOYSA-N
MW382.26 g/mol
LogP4.77
Rot. Bonds5

About N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide

N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide (PubChem CID 113033886) has the molecular formula C19H16BrN3O and a molecular weight of 382.26 g/mol. Its IUPAC name is N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide
PubChem CID113033886
Molecular FormulaC19H16BrN3O
Molecular Weight382.26 g/mol
Exact Mass381.05
IUPAC NameN-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(Nc2ccc(Br)cc2)cn1
InChIInChI=1S/C19H16BrN3O/c20-15-6-8-16(9-7-15)22-17-10-11-18(21-13-17)23-19(24)12-14-4-2-1-3-5-14/h1-11,13,22H,12H2,(H,21,23,24)
InChIKeyYODVNFKCVROMLJ-UHFFFAOYSA-N
XLogP4.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.26
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide
CID 113035518
methyl 4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]amino]benzoate
CID 113035396
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
2-(2-bromophenyl)-N-[5-(4-methylanilino)-2-pyridinyl]acetamide
CID 113031585
N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide
CID 113026424
N-[5-[(5-bromo-[1,2,4]triazolo[1,5-a]pyrazin-8-yl)amino]-2-pyridinyl]-2-phenylacetamide
CID 86619666
1-[6-(4-bromoanilino)-3-pyridinyl]-3-phenylurea
CID 113019226
N-[(5-bromo-2-pyridinyl)carbamothioyl]-2-phenylacetamide
CID 1346272
2-phenyl-N-[5-(1-phenylethylamino)-2-pyridinyl]acetamide
CID 113026808
N-(5-anilino-2-pyridinyl)pentanamide
CID 113031172
N-[5-(4-acetamidoanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113035220
N-[5-(4-ethylanilino)-2-pyridinyl]-2-(3-fluorophenyl)acetamide
CID 113032512

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide (CID 113033886) is N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(Nc2ccc(Br)cc2)cn1.
What is the InChIKey of N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide?
The InChIKey is YODVNFKCVROMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O/c20-15-6-8-16(9-7-15)22-17-10-11-18(21-13-17)23-19(24)12-14-4-2-1-3-5-14/h1-11,13,22H,12H2,(H,21,23,24).
What are the key properties of N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide?
N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide has a molecular weight of 382.26 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-bromoanilino)-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 113033886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).