[(Z)-(6-aminocyclohexa-2,4-dien-1-ylidene)amino]-[2-[carboxy(phenyl)methoxy]-5-chlorophenyl]azanide

C20H17ClN3O3- — CID 142810971

IUPAC[(Z)-(6-aminocyclohexa-2,4-dien-1-ylidene)amino]-[2-[carboxy(phenyl)methoxy]-5-chlorophenyl]azanide
SMILESNC1C=CC=C/C1=N/[N-]c1cc(Cl)ccc1OC(C(=O)O)c1ccccc1
InChIInChI=1S/C20H17ClN3O3/c21-14-10-11-18(27-19(20(25)26)13-6-2-1-3-7-13)17(12-14)24-23-16-9-5-4-8-15(16)22/h1-12,15,19H,22H2,(H,25,26)/q-1/b23-16-
InChIKeySAXSKTGBTVCSBA-KQWNVCNZSA-N
MW382.83 g/mol
LogP4.36
Rot. Bonds6

About [(Z)-(6-aminocyclohexa-2,4-dien-1-ylidene)amino]-[2-[carboxy(phenyl)methoxy]-5-chlorophenyl]azanide

[(Z)-(6-aminocyclohexa-2,4-dien-1-ylidene)amino]-[2-[carboxy(phenyl)methoxy]-5-chlorophenyl]azanide (PubChem CID 142810971) has the molecular formula C20H17ClN3O3- and a molecular weight of 382.83 g/mol. Its IUPAC name is [(Z)-(6-aminocyclohexa-2,4-dien-1-ylidene)amino]-[2-[carboxy(phenyl)methoxy]-5-chlorophenyl]azanide.

Molecular Properties

Compound Name[(Z)-(6-aminocyclohexa-2,4-dien-1-ylidene)amino]-[2-[carboxy(phenyl)methoxy]-5-chlorophenyl]azanide
PubChem CID142810971
Molecular FormulaC20H17ClN3O3-
Molecular Weight382.83 g/mol
Exact Mass382.10
IUPAC Name[(Z)-(6-aminocyclohexa-2,4-dien-1-ylidene)amino]-[2-[carboxy(phenyl)methoxy]-5-chlorophenyl]azanide
SMILESNC1C=CC=C/C1=N/[N-]c1cc(Cl)ccc1OC(C(=O)O)c1ccccc1
InChIInChI=1S/C20H17ClN3O3/c21-14-10-11-18(27-19(20(25)26)13-6-2-1-3-7-13)17(12-14)24-23-16-9-5-4-8-15(16)22/h1-12,15,19H,22H2,(H,25,26)/q-1/b23-16-
InChIKeySAXSKTGBTVCSBA-KQWNVCNZSA-N
XLogP4.36
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(Z)-(6-aminocyclohexa-2,4-dien-1-ylidene)amino]-[2-[carboxy(phenyl)methoxy]-5-chlorophenyl]azanide with MolForge

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Related Compounds

(2R)-2-(2,5-dichlorophenoxy)-2-phenylacetic acid
CID 42177498
2-(2,5-dichlorophenoxy)-2-phenylacetic acid
CID 22683206
(2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid
CID 42233563
2-[2-(1,7a-dihydrobenzotriazol-2-yl)-4-chlorophenoxy]-2-phenylacetic acid
CID 143298384
2-(2-bromo-4-chlorophenoxy)-2-phenylacetic acid
CID 22683110
(2R)-2-[2-(benzotriazol-2-yl)-4-chlorophenoxy]-2-phenylacetic acid;(2S)-2-[2-(benzotriazol-2-yl)-4-chlorophenoxy]-2-phenylacetic acid
CID 159533564
2-[2-(1,7a-dihydrobenzotriazol-2-yl)-4-chlorophenoxy]-2-(3-bromophenyl)acetic acid
CID 142810978
2-[2-(1,3-benzoxazol-2-yl)-4-chlorophenoxy]-2-phenylacetic acid;ethane
CID 142810900
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 8837824
2-[2-(benzotriazol-2-yl)-4-chlorophenoxy]-2-(4-bromophenyl)acetic acid
CID 23540581
(2R)-2-(4-fluorophenoxy)-2-phenylacetic acid
CID 42252726
2-[5-[(diaminomethylidenehydrazinylidene)methyl]-2-methoxyphenoxy]-2-phenylacetic acid
CID 168591498

Frequently Asked Questions

What is the IUPAC name of [(Z)-(6-aminocyclohexa-2,4-dien-1-ylidene)amino]-[2-[carboxy(phenyl)methoxy]-5-chlorophenyl]azanide?
The IUPAC name of [(Z)-(6-aminocyclohexa-2,4-dien-1-ylidene)amino]-[2-[carboxy(phenyl)methoxy]-5-chlorophenyl]azanide (CID 142810971) is [(Z)-(6-aminocyclohexa-2,4-dien-1-ylidene)amino]-[2-[carboxy(phenyl)methoxy]-5-chlorophenyl]azanide.
What is the SMILES notation for [(Z)-(6-aminocyclohexa-2,4-dien-1-ylidene)amino]-[2-[carboxy(phenyl)methoxy]-5-chlorophenyl]azanide?
The canonical SMILES for [(Z)-(6-aminocyclohexa-2,4-dien-1-ylidene)amino]-[2-[carboxy(phenyl)methoxy]-5-chlorophenyl]azanide is NC1C=CC=C/C1=N/[N-]c1cc(Cl)ccc1OC(C(=O)O)c1ccccc1.
What is the InChIKey of [(Z)-(6-aminocyclohexa-2,4-dien-1-ylidene)amino]-[2-[carboxy(phenyl)methoxy]-5-chlorophenyl]azanide?
The InChIKey is SAXSKTGBTVCSBA-KQWNVCNZSA-N. The full InChI is InChI=1S/C20H17ClN3O3/c21-14-10-11-18(27-19(20(25)26)13-6-2-1-3-7-13)17(12-14)24-23-16-9-5-4-8-15(16)22/h1-12,15,19H,22H2,(H,25,26)/q-1/b23-16-.
What are the key properties of [(Z)-(6-aminocyclohexa-2,4-dien-1-ylidene)amino]-[2-[carboxy(phenyl)methoxy]-5-chlorophenyl]azanide?
[(Z)-(6-aminocyclohexa-2,4-dien-1-ylidene)amino]-[2-[carboxy(phenyl)methoxy]-5-chlorophenyl]azanide has a molecular weight of 382.83 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(6-aminocyclohexa-2,4-dien-1-ylidene)amino]-[2-[carboxy(phenyl)methoxy]-5-chlorophenyl]azanide is sourced from PubChem (CID 142810971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).