2-(4-bromoanilino)-N-(2-chloro-3-pyridinyl)acetamide

C13H11BrClN3O — CID 7774992

IUPAC2-(4-bromoanilino)-N-(2-chloro-3-pyridinyl)acetamide
SMILESO=C(CNc1ccc(Br)cc1)Nc1cccnc1Cl
InChIInChI=1S/C13H11BrClN3O/c14-9-3-5-10(6-4-9)17-8-12(19)18-11-2-1-7-16-13(11)15/h1-7,17H,8H2,(H,18,19)
InChIKeyNZPFYCQNLJNNNN-UHFFFAOYSA-N
MW340.61 g/mol
LogP3.55
Rot. Bonds4

About 2-(4-bromoanilino)-N-(2-chloro-3-pyridinyl)acetamide

2-(4-bromoanilino)-N-(2-chloro-3-pyridinyl)acetamide (PubChem CID 7774992) has the molecular formula C13H11BrClN3O and a molecular weight of 340.61 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(2-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(2-chloro-3-pyridinyl)acetamide
PubChem CID7774992
Molecular FormulaC13H11BrClN3O
Molecular Weight340.61 g/mol
Exact Mass338.98
IUPAC Name2-(4-bromoanilino)-N-(2-chloro-3-pyridinyl)acetamide
SMILESO=C(CNc1ccc(Br)cc1)Nc1cccnc1Cl
InChIInChI=1S/C13H11BrClN3O/c14-9-3-5-10(6-4-9)17-8-12(19)18-11-2-1-7-16-13(11)15/h1-7,17H,8H2,(H,18,19)
InChIKeyNZPFYCQNLJNNNN-UHFFFAOYSA-N
XLogP3.55
TPSA54.02 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 ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N-(2-chloro-3-pyridinyl)acetamide
CID 60661396
2-[3,5-bis(trifluoromethyl)anilino]-N-(2-chloro-3-pyridinyl)acetamide
CID 7592959
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
1-(4-bromophenyl)-3-(2-chloro-3-pyridinyl)thiourea
CID 19686474
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
2-(4-bromoanilino)-N-(2-ethoxyphenyl)acetamide
CID 7535577
2-(4-bromoanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 7492460
2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7492494
2-(2-bromophenyl)sulfanyl-N-(2-chloro-3-pyridinyl)acetamide
CID 51258941
[(1R)-1-(4-bromophenyl)propyl]-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]azanium
CID 8710771
2-[2-(4-bromophenoxy)ethyl-methylamino]-N-(2-chloro-3-pyridinyl)acetamide
CID 8675847
2-(4-bromoanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54811194

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(2-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-(2-chloro-3-pyridinyl)acetamide (CID 7774992) is 2-(4-bromoanilino)-N-(2-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(2-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(2-chloro-3-pyridinyl)acetamide is O=C(CNc1ccc(Br)cc1)Nc1cccnc1Cl.
What is the InChIKey of 2-(4-bromoanilino)-N-(2-chloro-3-pyridinyl)acetamide?
The InChIKey is NZPFYCQNLJNNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O/c14-9-3-5-10(6-4-9)17-8-12(19)18-11-2-1-7-16-13(11)15/h1-7,17H,8H2,(H,18,19).
What are the key properties of 2-(4-bromoanilino)-N-(2-chloro-3-pyridinyl)acetamide?
2-(4-bromoanilino)-N-(2-chloro-3-pyridinyl)acetamide has a molecular weight of 340.61 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-(2-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 7774992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).