2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide

C18H18ClN3O2 — CID 110881066

IUPAC2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CN(CCO)Cc2ccccc2)cc1Cl
InChIInChI=1S/C18H18ClN3O2/c19-17-10-16(7-6-15(17)11-20)21-18(24)13-22(8-9-23)12-14-4-2-1-3-5-14/h1-7,10,23H,8-9,12-13H2,(H,21,24)
InChIKeyMWYOJHCEYAUKTE-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.64
Rot. Bonds7

About 2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide

2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide (PubChem CID 110881066) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
PubChem CID110881066
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)CN(CCO)Cc2ccccc2)cc1Cl
InChIInChI=1S/C18H18ClN3O2/c19-17-10-16(7-6-15(17)11-20)21-18(24)13-22(8-9-23)12-14-4-2-1-3-5-14/h1-7,10,23H,8-9,12-13H2,(H,21,24)
InChIKeyMWYOJHCEYAUKTE-UHFFFAOYSA-N
XLogP2.64
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
CID 60689275
N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 18196458
N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
CID 86910978
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 78822615
N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 18191756
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
CID 16609168
N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide
CID 9349330
(2R)-2-amino-N-(3-chloro-4-cyanophenyl)-2-phenylacetamide
CID 61149344
N-(3-chloro-4-cyanophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80741182
3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide
CID 56570185
methyl 2-[benzyl-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]acetate
CID 55819309
2-[benzyl(2-hydroxyethyl)amino]-N-pyrimidin-2-ylacetamide
CID 62114945

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide (CID 110881066) is 2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide is N#Cc1ccc(NC(=O)CN(CCO)Cc2ccccc2)cc1Cl.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide?
The InChIKey is MWYOJHCEYAUKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-17-10-16(7-6-15(17)11-20)21-18(24)13-22(8-9-23)12-14-4-2-1-3-5-14/h1-7,10,23H,8-9,12-13H2,(H,21,24).
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide?
2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide has a molecular weight of 343.81 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide is sourced from PubChem (CID 110881066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).