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

C13H12ClN3O — CID 83164175

IUPAC2-(3-aminophenyl)-N-(4-chloro-3-pyridinyl)acetamide
SMILESNc1cccc(CC(=O)Nc2cnccc2Cl)c1
InChIInChI=1S/C13H12ClN3O/c14-11-4-5-16-8-12(11)17-13(18)7-9-2-1-3-10(15)6-9/h1-6,8H,7,15H2,(H,17,18)
InChIKeyCBUZPHPPHIEMFO-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.50
Rot. Bonds3

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

2-(3-aminophenyl)-N-(4-chloro-3-pyridinyl)acetamide (PubChem CID 83164175) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(4-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(4-chloro-3-pyridinyl)acetamide
PubChem CID83164175
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name2-(3-aminophenyl)-N-(4-chloro-3-pyridinyl)acetamide
SMILESNc1cccc(CC(=O)Nc2cnccc2Cl)c1
InChIInChI=1S/C13H12ClN3O/c14-11-4-5-16-8-12(11)17-13(18)7-9-2-1-3-10(15)6-9/h1-6,8H,7,15H2,(H,17,18)
InChIKeyCBUZPHPPHIEMFO-UHFFFAOYSA-N
XLogP2.50
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 28712388
2-(3-aminophenyl)-N-(3,5-dichlorophenyl)acetamide
CID 28712382
2-(3-aminophenyl)-N-(3,5-dichloro-4-fluorophenyl)acetamide
CID 107571211
N-(3-chloro-4-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 39959255
2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 154875992
2-(3-aminophenyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 28712195
2-(3,4-dichlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide
CID 156906657
2-(3-fluorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 154859403
2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
CID 8763151
(4-chloro-3-pyridinyl)carbamic acid
CID 54010428
N-(4-chloro-3-pyridinyl)-5-hydroxypentanamide
CID 83166682
4-amino-N-(4-chloro-3-pyridinyl)-4-methylpentanamide
CID 83167037

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(4-chloro-3-pyridinyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(4-chloro-3-pyridinyl)acetamide (CID 83164175) is 2-(3-aminophenyl)-N-(4-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(4-chloro-3-pyridinyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(4-chloro-3-pyridinyl)acetamide is Nc1cccc(CC(=O)Nc2cnccc2Cl)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(4-chloro-3-pyridinyl)acetamide?
The InChIKey is CBUZPHPPHIEMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-11-4-5-16-8-12(11)17-13(18)7-9-2-1-3-10(15)6-9/h1-6,8H,7,15H2,(H,17,18).
What are the key properties of 2-(3-aminophenyl)-N-(4-chloro-3-pyridinyl)acetamide?
2-(3-aminophenyl)-N-(4-chloro-3-pyridinyl)acetamide has a molecular weight of 261.71 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(4-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 83164175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).