N-[2-(4-bromopyridine-2-carbonyl)phenyl]-2-chloroacetamide

C14H10BrClN2O2 — CID 70700552

IUPACN-[2-(4-bromopyridine-2-carbonyl)phenyl]-2-chloroacetamide
SMILESO=C(CCl)Nc1ccccc1C(=O)c1cc(Br)ccn1
InChIInChI=1S/C14H10BrClN2O2/c15-9-5-6-17-12(7-9)14(20)10-3-1-2-4-11(10)18-13(19)8-16/h1-7H,8H2,(H,18,19)
InChIKeyGQZUZDHDJLNMAN-UHFFFAOYSA-N
MW353.60 g/mol
LogP3.25
Rot. Bonds4

About N-[2-(4-bromopyridine-2-carbonyl)phenyl]-2-chloroacetamide

N-[2-(4-bromopyridine-2-carbonyl)phenyl]-2-chloroacetamide (PubChem CID 70700552) has the molecular formula C14H10BrClN2O2 and a molecular weight of 353.60 g/mol. Its IUPAC name is N-[2-(4-bromopyridine-2-carbonyl)phenyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-(4-bromopyridine-2-carbonyl)phenyl]-2-chloroacetamide
PubChem CID70700552
Molecular FormulaC14H10BrClN2O2
Molecular Weight353.60 g/mol
Exact Mass351.96
IUPAC NameN-[2-(4-bromopyridine-2-carbonyl)phenyl]-2-chloroacetamide
SMILESO=C(CCl)Nc1ccccc1C(=O)c1cc(Br)ccn1
InChIInChI=1S/C14H10BrClN2O2/c15-9-5-6-17-12(7-9)14(20)10-3-1-2-4-11(10)18-13(19)8-16/h1-7H,8H2,(H,18,19)
InChIKeyGQZUZDHDJLNMAN-UHFFFAOYSA-N
XLogP3.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.60
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[(2-chloroacetyl)amino]benzamide
CID 12031979
2-bromo-N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]acetamide;hydrobromide
CID 158180443
2-bromo-N-[2-(3-bromobenzoyl)phenyl]acetamide
CID 150212976
2-chloro-N-(2,5-dibromophenyl)acetamide
CID 3433301
2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide
CID 174969003
N-(4-bromothiophen-3-yl)-2-chloroacetamide
CID 166409195
N-(2-amino-4-bromophenyl)-2-chloroacetamide
CID 66911433
N-(2-carbamothioylphenyl)pyridine-2-carboxamide
CID 24701542
2-[(2-chloroacetyl)amino]-N-(1,2,4-triazol-4-yl)benzamide
CID 21369565
2-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840155
3-[(2-chloroacetyl)amino]-2-methylbenzamide
CID 43698457
N-(2-benzoylphenyl)-3-chloropropanamide
CID 25323415

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyridine-2-carbonyl)phenyl]-2-chloroacetamide?
The IUPAC name of N-[2-(4-bromopyridine-2-carbonyl)phenyl]-2-chloroacetamide (CID 70700552) is N-[2-(4-bromopyridine-2-carbonyl)phenyl]-2-chloroacetamide.
What is the SMILES notation for N-[2-(4-bromopyridine-2-carbonyl)phenyl]-2-chloroacetamide?
The canonical SMILES for N-[2-(4-bromopyridine-2-carbonyl)phenyl]-2-chloroacetamide is O=C(CCl)Nc1ccccc1C(=O)c1cc(Br)ccn1.
What is the InChIKey of N-[2-(4-bromopyridine-2-carbonyl)phenyl]-2-chloroacetamide?
The InChIKey is GQZUZDHDJLNMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2/c15-9-5-6-17-12(7-9)14(20)10-3-1-2-4-11(10)18-13(19)8-16/h1-7H,8H2,(H,18,19).
What are the key properties of N-[2-(4-bromopyridine-2-carbonyl)phenyl]-2-chloroacetamide?
N-[2-(4-bromopyridine-2-carbonyl)phenyl]-2-chloroacetamide has a molecular weight of 353.60 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyridine-2-carbonyl)phenyl]-2-chloroacetamide is sourced from PubChem (CID 70700552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).