2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate

C18H16ClN2O4- — CID 9016363

IUPAC2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate
SMILESCC/C(=N/NC(=O)c1ccccc1Cl)c1ccc(OCC(=O)[O-])cc1
InChIInChI=1S/C18H17ClN2O4/c1-2-16(12-7-9-13(10-8-12)25-11-17(22)23)20-21-18(24)14-5-3-4-6-15(14)19/h3-10H,2,11H2,1H3,(H,21,24)(H,22,23)/p-1/b20-16-
InChIKeySYUAXZYPNHRQPL-SILNSSARSA-M
MW359.79 g/mol
LogP2.01
Rot. Bonds7

About 2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate

2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate (PubChem CID 9016363) has the molecular formula C18H16ClN2O4- and a molecular weight of 359.79 g/mol. Its IUPAC name is 2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate
PubChem CID9016363
Molecular FormulaC18H16ClN2O4-
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC Name2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate
SMILESCC/C(=N/NC(=O)c1ccccc1Cl)c1ccc(OCC(=O)[O-])cc1
InChIInChI=1S/C18H17ClN2O4/c1-2-16(12-7-9-13(10-8-12)25-11-17(22)23)20-21-18(24)14-5-3-4-6-15(14)19/h3-10H,2,11H2,1H3,(H,21,24)(H,22,23)/p-1/b20-16-
InChIKeySYUAXZYPNHRQPL-SILNSSARSA-M
XLogP2.01
TPSA90.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4096350
2-[4-[(Z)-C-ethyl-N-(methoxycarbonylamino)carbonimidoyl]phenoxy]acetate
CID 9075506
2-chloro-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4195749
sodium 2-[4-(2-chlorobenzoyl)phenoxy]acetate
CID 178200902
2-[4-[(Z)-N-(2-chloroanilino)-C-ethylcarbonimidoyl]phenoxy]acetic acid
CID 9070034
2-chloro-N-[1-(3-chlorophenyl)propylideneamino]benzamide
CID 3567805
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
2,4-dichloro-N-[1-(4-chlorophenyl)propylideneamino]benzamide
CID 4063120
2-chloro-N-(pentan-3-ylideneamino)benzamide
CID 4620662
2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 3659742
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
CID 5237817
2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide
CID 9016411

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate?
The IUPAC name of 2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate (CID 9016363) is 2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate.
What is the SMILES notation for 2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate?
The canonical SMILES for 2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate is CC/C(=N/NC(=O)c1ccccc1Cl)c1ccc(OCC(=O)[O-])cc1.
What is the InChIKey of 2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate?
The InChIKey is SYUAXZYPNHRQPL-SILNSSARSA-M. The full InChI is InChI=1S/C18H17ClN2O4/c1-2-16(12-7-9-13(10-8-12)25-11-17(22)23)20-21-18(24)14-5-3-4-6-15(14)19/h3-10H,2,11H2,1H3,(H,21,24)(H,22,23)/p-1/b20-16-.
What are the key properties of 2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate?
2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate has a molecular weight of 359.79 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-ethylcarbonimidoyl]phenoxy]acetate is sourced from PubChem (CID 9016363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).