2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide

C21H23Cl2N3O4 — CID 55793069

IUPAC2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C21H23Cl2N3O4/c1-14(30-17-6-7-18(22)19(23)12-17)21(28)25-16-4-2-15(3-5-16)24-20(27)13-26-8-10-29-11-9-26/h2-7,12,14H,8-11,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyYSFGVJNKUPISRW-UHFFFAOYSA-N
MW452.34 g/mol
LogP3.67
Rot. Bonds7

About 2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide

2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide (PubChem CID 55793069) has the molecular formula C21H23Cl2N3O4 and a molecular weight of 452.34 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
PubChem CID55793069
Molecular FormulaC21H23Cl2N3O4
Molecular Weight452.34 g/mol
Exact Mass451.11
IUPAC Name2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
SMILESCC(Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
InChIInChI=1S/C21H23Cl2N3O4/c1-14(30-17-6-7-18(22)19(23)12-17)21(28)25-16-4-2-15(3-5-16)24-20(27)13-26-8-10-29-11-9-26/h2-7,12,14H,8-11,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyYSFGVJNKUPISRW-UHFFFAOYSA-N
XLogP3.67
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.34
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 42953030
2-(4-chlorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 108754563
(2S)-N-(4-bromophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7751387
N-[4-(4-methylphenoxy)phenyl]-2-morpholin-4-ylacetamide
CID 8903812
N-(3,4-dichlorophenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetamide
CID 78835221
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide
CID 55941741
N-(4-chloro-3-iodophenyl)-2-morpholin-4-ylacetamide
CID 142417419
N-(4-methoxyphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 11948773
2-(4-chloro-3-methylphenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 55823804
(2S)-N-(4-cyanophenyl)-2-(3,4-dichlorophenoxy)propanamide
CID 7433052
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820
2-(4-methylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2983188

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide (CID 55793069) is 2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide is CC(Oc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide?
The InChIKey is YSFGVJNKUPISRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O4/c1-14(30-17-6-7-18(22)19(23)12-17)21(28)25-16-4-2-15(3-5-16)24-20(27)13-26-8-10-29-11-9-26/h2-7,12,14H,8-11,13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide?
2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide has a molecular weight of 452.34 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 55793069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).