2-chloro-N'-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethanimidamide

C14H18ClN3O3 — CID 169365684

IUPAC2-chloro-N'-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H18ClN3O3/c15-9-13(16)17-11-1-3-12(4-2-11)21-10-14(19)18-5-7-20-8-6-18/h1-4H,5-10H2,(H2,16,17)
InChIKeyNXPAWVQOKILKEN-UHFFFAOYSA-N
MW311.77 g/mol
LogP1.15
Rot. Bonds5

About 2-chloro-N'-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethanimidamide

2-chloro-N'-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethanimidamide (PubChem CID 169365684) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-chloro-N'-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethanimidamide
PubChem CID169365684
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name2-chloro-N'-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(OCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H18ClN3O3/c15-9-13(16)17-11-1-3-12(4-2-11)21-10-14(19)18-5-7-20-8-6-18/h1-4H,5-10H2,(H2,16,17)
InChIKeyNXPAWVQOKILKEN-UHFFFAOYSA-N
XLogP1.15
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-[4-[(4-fluorophenyl)iminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 5173161
1-(diaminomethylidene)-2-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]guanidine
CID 168605232
2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone
CID 117097700
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
1-[4-[2-(4-iodophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55452209
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
(E)-3-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enoic acid
CID 29017799
2-[4-(ethylaminomethyl)phenoxy]-1-morpholin-4-ylethanone
CID 43276966
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381
2-[4-(furan-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 168524915

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethanimidamide (CID 169365684) is 2-chloro-N'-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethanimidamide is N/C(CCl)=N/c1ccc(OCC(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-chloro-N'-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethanimidamide?
The InChIKey is NXPAWVQOKILKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c15-9-13(16)17-11-1-3-12(4-2-11)21-10-14(19)18-5-7-20-8-6-18/h1-4H,5-10H2,(H2,16,17).
What are the key properties of 2-chloro-N'-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethanimidamide?
2-chloro-N'-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethanimidamide has a molecular weight of 311.77 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]ethanimidamide is sourced from PubChem (CID 169365684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).