2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid

C18H17ClN2O5 — CID 9016230

IUPAC2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid
SMILESCOc1cc(/C(C)=N\NC(=O)c2ccccc2Cl)ccc1OCC(=O)O
InChIInChI=1S/C18H17ClN2O5/c1-11(20-21-18(24)13-5-3-4-6-14(13)19)12-7-8-15(16(9-12)25-2)26-10-17(22)23/h3-9H,10H2,1-2H3,(H,21,24)(H,22,23)/b20-11-
InChIKeyHMPOVHQPZUTAQP-JAIQZWGSSA-N
MW376.80 g/mol
LogP2.97
Rot. Bonds7

About 2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid

2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid (PubChem CID 9016230) has the molecular formula C18H17ClN2O5 and a molecular weight of 376.80 g/mol. Its IUPAC name is 2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid
PubChem CID9016230
Molecular FormulaC18H17ClN2O5
Molecular Weight376.80 g/mol
Exact Mass376.08
IUPAC Name2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid
SMILESCOc1cc(/C(C)=N\NC(=O)c2ccccc2Cl)ccc1OCC(=O)O
InChIInChI=1S/C18H17ClN2O5/c1-11(20-21-18(24)13-5-3-4-6-14(13)19)12-7-8-15(16(9-12)25-2)26-10-17(22)23/h3-9H,10H2,1-2H3,(H,21,24)(H,22,23)/b20-11-
InChIKeyHMPOVHQPZUTAQP-JAIQZWGSSA-N
XLogP2.97
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 52.97
H-Bond Donors ≤ 52
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-[4-[(Z)-N-[(3,5-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid
CID 9460657
2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 5179011
2-[4-[(Z)-N-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid
CID 9316726
2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9232127
2-[2-(carboxymethoxy)-4-[[(2-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4205853
2-(2,4-dichlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 1351524
2-chloro-N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137028983
2,4-dichloro-N-[4-[N-[(2-methoxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4288814
2-[5-[(Z)-N-[(5-chloro-2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenyl]acetic acid
CID 9297810
2-[3-[(Z)-C-methyl-N-[(3,4,5-trimethoxybenzoyl)amino]carbonimidoyl]phenoxy]acetic acid
CID 9231733
N-[4-[N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]phenyl]-3,4-dimethoxybenzamide
CID 1039665
N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 55353185

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid?
The IUPAC name of 2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid (CID 9016230) is 2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid?
The canonical SMILES for 2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid is COc1cc(/C(C)=N\NC(=O)c2ccccc2Cl)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid?
The InChIKey is HMPOVHQPZUTAQP-JAIQZWGSSA-N. The full InChI is InChI=1S/C18H17ClN2O5/c1-11(20-21-18(24)13-5-3-4-6-14(13)19)12-7-8-15(16(9-12)25-2)26-10-17(22)23/h3-9H,10H2,1-2H3,(H,21,24)(H,22,23)/b20-11-.
What are the key properties of 2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid?
2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid has a molecular weight of 376.80 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 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-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid is sourced from PubChem (CID 9016230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).