3-chloro-N-(1-hydroxybutan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide

C18H21ClN2O2 — CID 50968331

IUPAC3-chloro-N-(1-hydroxybutan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCCC(CO)N(Cc1ccccn1)C(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H21ClN2O2/c1-3-16(12-22)21(11-15-6-4-5-9-20-15)18(23)14-8-7-13(2)17(19)10-14/h4-10,16,22H,3,11-12H2,1-2H3
InChIKeyYJJFNFCVLWPUNS-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.46
Rot. Bonds6

About 3-chloro-N-(1-hydroxybutan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide

3-chloro-N-(1-hydroxybutan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 50968331) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-chloro-N-(1-hydroxybutan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(1-hydroxybutan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID50968331
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name3-chloro-N-(1-hydroxybutan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCCC(CO)N(Cc1ccccn1)C(=O)c1ccc(C)c(Cl)c1
InChIInChI=1S/C18H21ClN2O2/c1-3-16(12-22)21(11-15-6-4-5-9-20-15)18(23)14-8-7-13(2)17(19)10-14/h4-10,16,22H,3,11-12H2,1-2H3
InChIKeyYJJFNFCVLWPUNS-UHFFFAOYSA-N
XLogP3.46
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-hydroxybutan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-chloro-N-(1-hydroxybutan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide (CID 50968331) is 3-chloro-N-(1-hydroxybutan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-chloro-N-(1-hydroxybutan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-chloro-N-(1-hydroxybutan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide is CCC(CO)N(Cc1ccccn1)C(=O)c1ccc(C)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(1-hydroxybutan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is YJJFNFCVLWPUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-3-16(12-22)21(11-15-6-4-5-9-20-15)18(23)14-8-7-13(2)17(19)10-14/h4-10,16,22H,3,11-12H2,1-2H3.
What are the key properties of 3-chloro-N-(1-hydroxybutan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide?
3-chloro-N-(1-hydroxybutan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 332.83 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-hydroxybutan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 50968331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).