3-[2-chloro-4-(pyridine-4-carbonyl)anilino]-1-phenylpropan-1-one

C21H17ClN2O2 — CID 146590916

IUPAC3-[2-chloro-4-(pyridine-4-carbonyl)anilino]-1-phenylpropan-1-one
SMILESO=C(CCNc1ccc(C(=O)c2ccncc2)cc1Cl)c1ccccc1
InChIInChI=1S/C21H17ClN2O2/c22-18-14-17(21(26)16-8-11-23-12-9-16)6-7-19(18)24-13-10-20(25)15-4-2-1-3-5-15/h1-9,11-12,14,24H,10,13H2
InChIKeyJJIKZOAQXYFWGQ-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.65
Rot. Bonds7

About 3-[2-chloro-4-(pyridine-4-carbonyl)anilino]-1-phenylpropan-1-one

3-[2-chloro-4-(pyridine-4-carbonyl)anilino]-1-phenylpropan-1-one (PubChem CID 146590916) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 3-[2-chloro-4-(pyridine-4-carbonyl)anilino]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[2-chloro-4-(pyridine-4-carbonyl)anilino]-1-phenylpropan-1-one
PubChem CID146590916
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name3-[2-chloro-4-(pyridine-4-carbonyl)anilino]-1-phenylpropan-1-one
SMILESO=C(CCNc1ccc(C(=O)c2ccncc2)cc1Cl)c1ccccc1
InChIInChI=1S/C21H17ClN2O2/c22-18-14-17(21(26)16-8-11-23-12-9-16)6-7-19(18)24-13-10-20(25)15-4-2-1-3-5-15/h1-9,11-12,14,24H,10,13H2
InChIKeyJJIKZOAQXYFWGQ-UHFFFAOYSA-N
XLogP4.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloroanilino)-1-pyridin-3-ylpropan-1-one
CID 146590885
[3-chloro-4-(2-chloroanilino)phenyl]-phenylmethanone
CID 14243390
(4-anilino-3-chlorophenyl)-phenylmethanone
CID 14243389
3-(2-bromoanilino)-1-(3,4-dichlorophenyl)propan-1-one
CID 7237164
tris(phenyl(pyridin-4-yl)methanone);trichlororuthenium
CID 4004269
3-chloro-4-(propylamino)benzoic acid
CID 63089109
3-(pyridine-4-carbonyl)benzoic acid
CID 82115219
1-(3-chlorophenyl)-3-(2-hydroxyanilino)propan-1-one
CID 22145449
3-(2-chloroethylamino)-1-phenylpropan-1-one
CID 2047021
3-(4-benzoylphenyl)-3-oxopropanoic acid
CID 170886863
3-chloro-4-(2-hydroxyethylamino)benzamide
CID 141166266
4-(2-aminoethylamino)-3-chlorobenzamide
CID 63092115

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-(pyridine-4-carbonyl)anilino]-1-phenylpropan-1-one?
The IUPAC name of 3-[2-chloro-4-(pyridine-4-carbonyl)anilino]-1-phenylpropan-1-one (CID 146590916) is 3-[2-chloro-4-(pyridine-4-carbonyl)anilino]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[2-chloro-4-(pyridine-4-carbonyl)anilino]-1-phenylpropan-1-one?
The canonical SMILES for 3-[2-chloro-4-(pyridine-4-carbonyl)anilino]-1-phenylpropan-1-one is O=C(CCNc1ccc(C(=O)c2ccncc2)cc1Cl)c1ccccc1.
What is the InChIKey of 3-[2-chloro-4-(pyridine-4-carbonyl)anilino]-1-phenylpropan-1-one?
The InChIKey is JJIKZOAQXYFWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c22-18-14-17(21(26)16-8-11-23-12-9-16)6-7-19(18)24-13-10-20(25)15-4-2-1-3-5-15/h1-9,11-12,14,24H,10,13H2.
What are the key properties of 3-[2-chloro-4-(pyridine-4-carbonyl)anilino]-1-phenylpropan-1-one?
3-[2-chloro-4-(pyridine-4-carbonyl)anilino]-1-phenylpropan-1-one has a molecular weight of 364.83 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-(pyridine-4-carbonyl)anilino]-1-phenylpropan-1-one is sourced from PubChem (CID 146590916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).