N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide

C20H22ClN3O4 — CID 46461439

IUPACN-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C20H22ClN3O4/c1-2-28-17-10-6-4-8-15(17)20(27)24-13-18(25)22-11-12-23-19(26)14-7-3-5-9-16(14)21/h3-10H,2,11-13H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyRHRBXSVGRIMFPY-UHFFFAOYSA-N
MW403.87 g/mol
LogP2.01
Rot. Bonds9

About N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide

N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide (PubChem CID 46461439) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
PubChem CID46461439
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC NameN-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C20H22ClN3O4/c1-2-28-17-10-6-4-8-15(17)20(27)24-13-18(25)22-11-12-23-19(26)14-7-3-5-9-16(14)21/h3-10H,2,11-13H2,1H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyRHRBXSVGRIMFPY-UHFFFAOYSA-N
XLogP2.01
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 52.01
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

2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
2-chloro-N-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 9474002
2-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022566
2-ethoxy-N-[2-[2-(N-methylanilino)ethylamino]-2-oxoethyl]benzamide
CID 25396087
2-chloro-N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 46461477
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
2-ethoxy-N-(2-hydroxyethyl)benzamide
CID 4088522
N-(4-chlorobutyl)-2-ethoxybenzamide
CID 106845375
2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508383
2-ethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658238
(2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7951719
tert-butyl N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537111

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide?
The IUPAC name of N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide (CID 46461439) is N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC(=O)NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide?
The InChIKey is RHRBXSVGRIMFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O4/c1-2-28-17-10-6-4-8-15(17)20(27)24-13-18(25)22-11-12-23-19(26)14-7-3-5-9-16(14)21/h3-10H,2,11-13H2,1H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide?
N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide has a molecular weight of 403.87 g/mol, XLogP of 2.01, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2-ethoxybenzamide is sourced from PubChem (CID 46461439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).