N-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide

C18H18ClN3O5 — CID 7601129

IUPACN-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(=O)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C18H18ClN3O5/c1-26-14-8-4-2-6-12(14)18(25)20-10-16(23)21-22-17(24)11-27-15-9-5-3-7-13(15)19/h2-9H,10-11H2,1H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyYKUYYBLYFRJIMO-UHFFFAOYSA-N
MW391.81 g/mol
LogP1.30
Rot. Bonds7

About N-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide

N-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide (PubChem CID 7601129) has the molecular formula C18H18ClN3O5 and a molecular weight of 391.81 g/mol. Its IUPAC name is N-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
PubChem CID7601129
Molecular FormulaC18H18ClN3O5
Molecular Weight391.81 g/mol
Exact Mass391.09
IUPAC NameN-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCC(=O)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C18H18ClN3O5/c1-26-14-8-4-2-6-12(14)18(25)20-10-16(23)21-22-17(24)11-27-15-9-5-3-7-13(15)19/h2-9H,10-11H2,1H3,(H,20,25)(H,21,23)(H,22,24)
InChIKeyYKUYYBLYFRJIMO-UHFFFAOYSA-N
XLogP1.30
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.81
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]-2-methoxybenzamide
CID 4980812
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
N-[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 41176984
N-[2-(ethylamino)-2-oxoethyl]-2-methoxybenzamide
CID 2687892
N'-[2-(2-ethoxyphenoxy)acetyl]-2-methoxybenzohydrazide
CID 18159247
methyl 2-[[2-(2-chlorophenoxy)acetyl]amino]acetate
CID 43404773
2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzamide
CID 9085660
N-[2-[2-(4-ethylbenzoyl)hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 7601375
3-[[[2-(2-chlorophenoxy)acetyl]amino]carbamoyl]-4-methoxybenzenesulfonamide
CID 7978237
N-[[[2-(2-chlorophenoxy)acetyl]amino]carbamothioyl]-2-(2-methoxyphenoxy)acetamide
CID 4506696
N'-[2-(2-chlorophenoxy)acetyl]-2-prop-2-enoxybenzohydrazide
CID 4929148
2-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 47100986

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide (CID 7601129) is N-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCC(=O)NNC(=O)COc1ccccc1Cl.
What is the InChIKey of N-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide?
The InChIKey is YKUYYBLYFRJIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O5/c1-26-14-8-4-2-6-12(14)18(25)20-10-16(23)21-22-17(24)11-27-15-9-5-3-7-13(15)19/h2-9H,10-11H2,1H3,(H,20,25)(H,21,23)(H,22,24).
What are the key properties of N-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide?
N-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 391.81 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide is sourced from PubChem (CID 7601129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).