2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide

C15H16ClN3O2 — CID 17054003

IUPAC2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(Cl)cc1CNCc1cccnc1
InChIInChI=1S/C15H16ClN3O2/c16-13-3-4-14(21-10-15(17)20)12(6-13)9-19-8-11-2-1-5-18-7-11/h1-7,19H,8-10H2,(H2,17,20)
InChIKeyIVMXIOXYEAOTBK-UHFFFAOYSA-N
MW305.77 g/mol
LogP1.89
Rot. Bonds7

About 2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide

2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide (PubChem CID 17054003) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide
PubChem CID17054003
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(Cl)cc1CNCc1cccnc1
InChIInChI=1S/C15H16ClN3O2/c16-13-3-4-14(21-10-15(17)20)12(6-13)9-19-8-11-2-1-5-18-7-11/h1-7,19H,8-10H2,(H2,17,20)
InChIKeyIVMXIOXYEAOTBK-UHFFFAOYSA-N
XLogP1.89
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 17289311
2-[4-chloro-2-[(2-hydroxyethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17053988
2-[2-chloro-6-methoxy-4-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide;hydrochloride
CID 6462700
2-[2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetic acid
CID 57411895
2-[4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17054063
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 43275372
N-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]-1-[4-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 34535658
2-(2,4-dichlorophenoxy)acetamide;pyrimidine
CID 161375836
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 71868680
2-[4-chloro-2-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17054022
2-[4-chloro-2-[[2-(4-fluorophenyl)ethylamino]methyl]phenoxy]acetamide;hydrochloride
CID 17054047
2-[2-[(benzylamino)methyl]-4-chlorophenoxy]-N-tert-butylacetamide;hydrochloride
CID 17054094

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide (CID 17054003) is 2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide is NC(=O)COc1ccc(Cl)cc1CNCc1cccnc1.
What is the InChIKey of 2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide?
The InChIKey is IVMXIOXYEAOTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-13-3-4-14(21-10-15(17)20)12(6-13)9-19-8-11-2-1-5-18-7-11/h1-7,19H,8-10H2,(H2,17,20).
What are the key properties of 2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide?
2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide has a molecular weight of 305.77 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(pyridin-3-ylmethylamino)methyl]phenoxy]acetamide is sourced from PubChem (CID 17054003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).