3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide

C14H15ClN4O2 — CID 118781649

IUPAC3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide
SMILESNCCOc1cccc(C(=O)NCc2ncc(Cl)cn2)c1
InChIInChI=1S/C14H15ClN4O2/c15-11-7-17-13(18-8-11)9-19-14(20)10-2-1-3-12(6-10)21-5-4-16/h1-3,6-8H,4-5,9,16H2,(H,19,20)
InChIKeyPCFOXGKKHWDKJV-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.40
Rot. Bonds6

About 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide

3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide (PubChem CID 118781649) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide
PubChem CID118781649
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide
SMILESNCCOc1cccc(C(=O)NCc2ncc(Cl)cn2)c1
InChIInChI=1S/C14H15ClN4O2/c15-11-7-17-13(18-8-11)9-19-14(20)10-2-1-3-12(6-10)21-5-4-16/h1-3,6-8H,4-5,9,16H2,(H,19,20)
InChIKeyPCFOXGKKHWDKJV-UHFFFAOYSA-N
XLogP1.40
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide
CID 118771147
3-(2-aminoethoxy)-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]benzamide
CID 119074684
3-(2-aminoethoxy)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 118774721
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
3-(2-aminoethoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 118793810
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
N-benzyl-3-[2-(2-chlorophenoxy)ethoxy]benzamide
CID 7492331
N-(5-chloropyrazin-2-yl)-3-propoxybenzamide
CID 107595713
N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430
N-[(4-aminophenyl)methyl]-3-propoxybenzamide
CID 62921372
3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86835966
3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60968015

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide?
The IUPAC name of 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide (CID 118781649) is 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide is NCCOc1cccc(C(=O)NCc2ncc(Cl)cn2)c1.
What is the InChIKey of 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide?
The InChIKey is PCFOXGKKHWDKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-11-7-17-13(18-8-11)9-19-14(20)10-2-1-3-12(6-10)21-5-4-16/h1-3,6-8H,4-5,9,16H2,(H,19,20).
What are the key properties of 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide?
3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide has a molecular weight of 306.75 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 118781649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).