3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide

C15H17ClN4O3 — CID 118771147

IUPAC3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ncc(Cl)cn2)cc1OCCN
InChIInChI=1S/C15H17ClN4O3/c1-22-12-3-2-10(6-13(12)23-5-4-17)15(21)20-9-14-18-7-11(16)8-19-14/h2-3,6-8H,4-5,9,17H2,1H3,(H,20,21)
InChIKeyPOLBEHVRSYPYAE-UHFFFAOYSA-N
MW336.78 g/mol
LogP1.41
Rot. Bonds7

About 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide

3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide (PubChem CID 118771147) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide
PubChem CID118771147
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Name3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCc2ncc(Cl)cn2)cc1OCCN
InChIInChI=1S/C15H17ClN4O3/c1-22-12-3-2-10(6-13(12)23-5-4-17)15(21)20-9-14-18-7-11(16)8-19-14/h2-3,6-8H,4-5,9,17H2,1H3,(H,20,21)
InChIKeyPOLBEHVRSYPYAE-UHFFFAOYSA-N
XLogP1.41
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]benzamide
CID 118781649
4-fluoro-3-methoxy-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 81002204
3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide
CID 118791993
2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 3524412
N-[(3-chlorophenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 51158727
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
4-(2-aminoethoxy)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methoxybenzamide
CID 118772096
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3,4-dimethoxybenzamide
CID 19296867
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
N-(5-amino-2,2-dimethylpentyl)-3,4-dimethoxybenzamide
CID 106141080
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
N-[(3-amino-4-methoxyphenyl)methyl]-4-chlorobenzamide
CID 60973085

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide?
The IUPAC name of 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide (CID 118771147) is 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NCc2ncc(Cl)cn2)cc1OCCN.
What is the InChIKey of 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide?
The InChIKey is POLBEHVRSYPYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O3/c1-22-12-3-2-10(6-13(12)23-5-4-17)15(21)20-9-14-18-7-11(16)8-19-14/h2-3,6-8H,4-5,9,17H2,1H3,(H,20,21).
What are the key properties of 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide?
3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide has a molecular weight of 336.78 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-[(5-chloropyrimidin-2-yl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 118771147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).