N-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide

C18H20ClN3O4 — CID 55744579

IUPACN-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide
SMILESCOc1cc(NC(=O)NCCOc2cccc(Cl)c2)ccc1NC(C)=O
InChIInChI=1S/C18H20ClN3O4/c1-12(23)21-16-7-6-14(11-17(16)25-2)22-18(24)20-8-9-26-15-5-3-4-13(19)10-15/h3-7,10-11H,8-9H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyQFWLEIHTANDIHH-UHFFFAOYSA-N
MW377.83 g/mol
LogP3.51
Rot. Bonds7

About N-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide

N-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide (PubChem CID 55744579) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is N-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide
PubChem CID55744579
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC NameN-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide
SMILESCOc1cc(NC(=O)NCCOc2cccc(Cl)c2)ccc1NC(C)=O
InChIInChI=1S/C18H20ClN3O4/c1-12(23)21-16-7-6-14(11-17(16)25-2)22-18(24)20-8-9-26-15-5-3-4-13(19)10-15/h3-7,10-11H,8-9H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKeyQFWLEIHTANDIHH-UHFFFAOYSA-N
XLogP3.51
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-chlorophenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
CID 112970797
N-[2-methoxy-4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 55744137
1-[2-(3-chlorophenoxy)ethyl]-3-[4-(diethylamino)phenyl]urea
CID 112970850
1-[2-(4-chlorophenoxy)ethyl]-3-(3-ethoxy-4-methoxyphenyl)urea
CID 52642986
N-[2-(3-chlorophenoxy)ethyl]acetamide;ethane
CID 177170822
1-(3-chloro-4-fluorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971573
1-[2-(3-tert-butylphenoxy)ethyl]-3-(3,4-dimethoxyphenyl)urea
CID 112972777
1-(4-chloro-2,5-dimethoxyphenyl)-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112973111
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969963
1-[2-(3-chlorophenoxy)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 112970763
methyl N-[2-(3-chlorophenoxy)ethyl]carbamate
CID 14496172
N-[2-methoxy-4-[[3-(2,2,2-trifluoroethoxy)phenyl]methylcarbamoylamino]phenyl]acetamide
CID 55744578

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide?
The IUPAC name of N-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide (CID 55744579) is N-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide.
What is the SMILES notation for N-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide?
The canonical SMILES for N-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide is COc1cc(NC(=O)NCCOc2cccc(Cl)c2)ccc1NC(C)=O.
What is the InChIKey of N-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide?
The InChIKey is QFWLEIHTANDIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-12(23)21-16-7-6-14(11-17(16)25-2)22-18(24)20-8-9-26-15-5-3-4-13(19)10-15/h3-7,10-11H,8-9H2,1-2H3,(H,21,23)(H2,20,22,24).
What are the key properties of N-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide?
N-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide has a molecular weight of 377.83 g/mol, XLogP of 3.51, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-chlorophenoxy)ethylcarbamoylamino]-2-methoxyphenyl]acetamide is sourced from PubChem (CID 55744579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).