(2-amino-5-chlorophenyl)-(5-methyl-1,2-dihydropyridin-4-yl)methanone

C13H13ClN2O — CID 143141375

IUPAC(2-amino-5-chlorophenyl)-(5-methyl-1,2-dihydropyridin-4-yl)methanone
SMILESCC1=CNCC=C1C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H13ClN2O/c1-8-7-16-5-4-10(8)13(17)11-6-9(14)2-3-12(11)15/h2-4,6-7,16H,5,15H2,1H3
InChIKeyFMKSOHNNSQADAU-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.54
Rot. Bonds2

About (2-amino-5-chlorophenyl)-(5-methyl-1,2-dihydropyridin-4-yl)methanone

(2-amino-5-chlorophenyl)-(5-methyl-1,2-dihydropyridin-4-yl)methanone (PubChem CID 143141375) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is (2-amino-5-chlorophenyl)-(5-methyl-1,2-dihydropyridin-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-chlorophenyl)-(5-methyl-1,2-dihydropyridin-4-yl)methanone
PubChem CID143141375
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name(2-amino-5-chlorophenyl)-(5-methyl-1,2-dihydropyridin-4-yl)methanone
SMILESCC1=CNCC=C1C(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C13H13ClN2O/c1-8-7-16-5-4-10(8)13(17)11-6-9(14)2-3-12(11)15/h2-4,6-7,16H,5,15H2,1H3
InChIKeyFMKSOHNNSQADAU-UHFFFAOYSA-N
XLogP2.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.54
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-amino-5-chlorophenyl)-(2-chlorophenyl)methanone
CID 18069
(2-amino-5-chlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106880126
(2-amino-5-chlorophenyl)-(2-chlorophenyl)methanone;hydrochloride
CID 23355179
S-methyl 2-amino-5-chlorobenzenecarbothioate
CID 134117277
(2-amino-5-chlorophenyl)-(4-ethylphenyl)methanone
CID 59654986
(2-amino-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 116581480
5-(2-amino-5-chlorobenzoyl)-2H-triazole-4-carboxylic acid
CID 152704973
(2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 90097176
(2-amino-5-chlorophenyl)-(2-chloro-6-fluorophenyl)methanone
CID 67505353
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
(2-amino-5-chlorophenyl)-pyridazin-3-ylmethanone
CID 15049840
2-amino-5-chloro-N-(4-methylphenyl)benzamide
CID 6481532

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chlorophenyl)-(5-methyl-1,2-dihydropyridin-4-yl)methanone?
The IUPAC name of (2-amino-5-chlorophenyl)-(5-methyl-1,2-dihydropyridin-4-yl)methanone (CID 143141375) is (2-amino-5-chlorophenyl)-(5-methyl-1,2-dihydropyridin-4-yl)methanone.
What is the SMILES notation for (2-amino-5-chlorophenyl)-(5-methyl-1,2-dihydropyridin-4-yl)methanone?
The canonical SMILES for (2-amino-5-chlorophenyl)-(5-methyl-1,2-dihydropyridin-4-yl)methanone is CC1=CNCC=C1C(=O)c1cc(Cl)ccc1N.
What is the InChIKey of (2-amino-5-chlorophenyl)-(5-methyl-1,2-dihydropyridin-4-yl)methanone?
The InChIKey is FMKSOHNNSQADAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-8-7-16-5-4-10(8)13(17)11-6-9(14)2-3-12(11)15/h2-4,6-7,16H,5,15H2,1H3.
What are the key properties of (2-amino-5-chlorophenyl)-(5-methyl-1,2-dihydropyridin-4-yl)methanone?
(2-amino-5-chlorophenyl)-(5-methyl-1,2-dihydropyridin-4-yl)methanone has a molecular weight of 248.71 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chlorophenyl)-(5-methyl-1,2-dihydropyridin-4-yl)methanone is sourced from PubChem (CID 143141375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).