2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid

C19H19ClN2O5 — CID 9317091

IUPAC2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
SMILESC/C(=N/NC(=O)COc1ccc(Cl)cc1C)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C19H19ClN2O5/c1-12-9-15(20)5-8-17(12)27-10-18(23)22-21-13(2)14-3-6-16(7-4-14)26-11-19(24)25/h3-9H,10-11H2,1-2H3,(H,22,23)(H,24,25)/b21-13-
InChIKeyJYRJEHMFPONBSQ-BKUYFWCQSA-N
MW390.82 g/mol
LogP3.03
Rot. Bonds8

About 2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid

2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid (PubChem CID 9317091) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is 2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
PubChem CID9317091
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Name2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
SMILESC/C(=N/NC(=O)COc1ccc(Cl)cc1C)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C19H19ClN2O5/c1-12-9-15(20)5-8-17(12)27-10-18(23)22-21-13(2)14-3-6-16(7-4-14)26-11-19(24)25/h3-9H,10-11H2,1-2H3,(H,22,23)(H,24,25)/b21-13-
InChIKeyJYRJEHMFPONBSQ-BKUYFWCQSA-N
XLogP3.03
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 53.03
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'}

Analyze 2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 5050963
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
2-[4-[(Z)-N-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid
CID 9316726
N-[1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 1354153
2-(2,4-dichlorophenoxy)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 6015085
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 4121523
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]butanamide
CID 6023846
2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
CID 6920998
2-(3-chlorophenoxy)-N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 683722
N-[1-(4-aminophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 3486285
N-[(E)-1-(4-aminophenyl)ethylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7957341

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid (CID 9317091) is 2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid is C/C(=N/NC(=O)COc1ccc(Cl)cc1C)c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid?
The InChIKey is JYRJEHMFPONBSQ-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-12-9-15(20)5-8-17(12)27-10-18(23)22-21-13(2)14-3-6-16(7-4-14)26-11-19(24)25/h3-9H,10-11H2,1-2H3,(H,22,23)(H,24,25)/b21-13-.
What are the key properties of 2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid?
2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid has a molecular weight of 390.82 g/mol, XLogP of 3.03, 8 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-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid is sourced from PubChem (CID 9317091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).