4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide

C20H22ClN3O5 — CID 55893304

IUPAC4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1
InChIInChI=1S/C20H22ClN3O5/c1-3-8-23-19(26)12-4-6-14(7-5-12)24-20(27)13-9-15(21)18(16(10-13)28-2)29-11-17(22)25/h4-7,9-10H,3,8,11H2,1-2H3,(H2,22,25)(H,23,26)(H,24,27)
InChIKeyWAJHPWCSXCBROR-UHFFFAOYSA-N
MW419.87 g/mol
LogP2.60
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide

4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide (PubChem CID 55893304) has the molecular formula C20H22ClN3O5 and a molecular weight of 419.87 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
PubChem CID55893304
Molecular FormulaC20H22ClN3O5
Molecular Weight419.87 g/mol
Exact Mass419.12
IUPAC Name4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1
InChIInChI=1S/C20H22ClN3O5/c1-3-8-23-19(26)12-4-6-14(7-5-12)24-20(27)13-9-15(21)18(16(10-13)28-2)29-11-17(22)25/h4-7,9-10H,3,8,11H2,1-2H3,(H2,22,25)(H,23,26)(H,24,27)
InChIKeyWAJHPWCSXCBROR-UHFFFAOYSA-N
XLogP2.60
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

butyl 4-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]benzoate
CID 24590767
4-(2-amino-2-oxoethoxy)-N-[4-(3-amino-3-oxopropoxy)phenyl]-3-chloro-5-methoxybenzamide
CID 55840241
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride
CID 119508033
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55492038
4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methoxybenzamide
CID 24612595
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 51310672
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-5-methoxybenzamide
CID 55724832
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119629178
ethyl 4-[(3-chloro-4,5-dimethoxybenzoyl)amino]benzoate
CID 26253075
3-chloro-4,5-dimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679409

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide (CID 55893304) is 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide is CCCNC(=O)c1ccc(NC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide?
The InChIKey is WAJHPWCSXCBROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O5/c1-3-8-23-19(26)12-4-6-14(7-5-12)24-20(27)13-9-15(21)18(16(10-13)28-2)29-11-17(22)25/h4-7,9-10H,3,8,11H2,1-2H3,(H2,22,25)(H,23,26)(H,24,27).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide?
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide has a molecular weight of 419.87 g/mol, XLogP of 2.60, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 55893304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).