2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide

C18H21ClN2O2 — CID 91783750

IUPAC2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide
SMILESCCCCC(NC(=O)Cc1ccc(O)c(Cl)c1)c1cccnc1
InChIInChI=1S/C18H21ClN2O2/c1-2-3-6-16(14-5-4-9-20-12-14)21-18(23)11-13-7-8-17(22)15(19)10-13/h4-5,7-10,12,16,22H,2-3,6,11H2,1H3,(H,21,23)
InChIKeyRFHJQLWFRRYVRW-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.03
Rot. Bonds7

About 2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide

2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide (PubChem CID 91783750) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide
PubChem CID91783750
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide
SMILESCCCCC(NC(=O)Cc1ccc(O)c(Cl)c1)c1cccnc1
InChIInChI=1S/C18H21ClN2O2/c1-2-3-6-16(14-5-4-9-20-12-14)21-18(23)11-13-7-8-17(22)15(19)10-13/h4-5,7-10,12,16,22H,2-3,6,11H2,1H3,(H,21,23)
InChIKeyRFHJQLWFRRYVRW-UHFFFAOYSA-N
XLogP4.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-hydroxyphenyl)-N-[(2R)-1-pyridin-3-ylpropan-2-yl]acetamide
CID 99973874
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-(1-pyridin-3-ylpentyl)acetamide
CID 122570848
3-fluoro-N-[(1S)-1-pyridin-3-ylpentyl]pyridine-4-carboxamide
CID 125447618
3-(4-methyl-1,2,4-triazol-3-yl)-N-[(1R)-1-pyridin-3-ylpentyl]propanamide
CID 126431719
2-(3-chloro-4-hydroxyphenyl)-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)propyl]acetamide
CID 99961287
N-(1-pyridin-3-ylpentyl)-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 122556162
(3S)-N-[(2S)-3-(3-chloro-4-hydroxyphenyl)-2-(dimethylamino)propyl]-4-methyl-3-pyridin-3-ylpentanamide
CID 165405389
2-(3-methoxyphenyl)-N-(3-methyl-1-pyridin-3-ylbutyl)acetamide
CID 118774275
4-oxo-N-(1-pyridin-3-ylpentyl)-3H-phthalazine-1-carboxamide
CID 91774680
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(1-pyridin-3-ylpentyl)acetamide
CID 118782889
N-(1-phenylheptyl)pyridine-3-carboxamide
CID 54544628
1-pyridin-3-yldecylhydrazine
CID 105196150

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide (CID 91783750) is 2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide is CCCCC(NC(=O)Cc1ccc(O)c(Cl)c1)c1cccnc1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide?
The InChIKey is RFHJQLWFRRYVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-2-3-6-16(14-5-4-9-20-12-14)21-18(23)11-13-7-8-17(22)15(19)10-13/h4-5,7-10,12,16,22H,2-3,6,11H2,1H3,(H,21,23).
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide?
2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide has a molecular weight of 332.83 g/mol, XLogP of 4.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-N-(1-pyridin-3-ylpentyl)acetamide is sourced from PubChem (CID 91783750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).