N-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide

C13H17ClN2O2 — CID 43690243

IUPACN-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCC2CCOC2)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-9(17)16-13-3-2-11(6-12(13)14)15-7-10-4-5-18-8-10/h2-3,6,10,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyUVPGYTLVXSPVIK-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.75
Rot. Bonds4

About N-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide

N-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide (PubChem CID 43690243) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide
PubChem CID43690243
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCC2CCOC2)cc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-9(17)16-13-3-2-11(6-12(13)14)15-7-10-4-5-18-8-10/h2-3,6,10,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyUVPGYTLVXSPVIK-UHFFFAOYSA-N
XLogP2.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide
CID 63331642
2-chloro-N-methyl-5-(oxan-3-ylmethylamino)benzamide
CID 63740745
N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 43204093
N-[4-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-chlorophenyl]acetamide
CID 43782533
1-[5-(oxolan-3-ylmethylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684646
4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62824000
3-iodo-4-methyl-N-(oxolan-3-ylmethyl)aniline
CID 43716317
N-[2-chloro-4-[(5-methylfuran-2-yl)methylamino]phenyl]acetamide
CID 43690180
2-methyl-5-(oxolan-3-ylmethylamino)benzenesulfonamide
CID 43203352
3-chloro-4-iodo-N-(oxan-4-ylmethyl)aniline
CID 166607236
2,5-dichloro-N-(oxolan-3-ylmethyl)aniline
CID 43191026
3-chloro-4-fluoro-N-(oxan-4-ylmethyl)aniline
CID 62384448

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide (CID 43690243) is N-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide is CC(=O)Nc1ccc(NCC2CCOC2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide?
The InChIKey is UVPGYTLVXSPVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-9(17)16-13-3-2-11(6-12(13)14)15-7-10-4-5-18-8-10/h2-3,6,10,15H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of N-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide?
N-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide has a molecular weight of 268.74 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(oxolan-3-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 43690243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).