[(Z)-[amino(naphthalen-1-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate

C19H14Cl2N2O3 — CID 164870455

IUPAC[(Z)-[amino(naphthalen-1-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)O/N=C(\N)c1cccc2ccccc12
InChIInChI=1S/C19H14Cl2N2O3/c1-25-17-15(21)10-9-14(20)16(17)19(24)26-23-18(22)13-8-4-6-11-5-2-3-7-12(11)13/h2-10H,1H3,(H2,22,23)
InChIKeyHWWBSKVHLSHZNF-UHFFFAOYSA-N
MW389.24 g/mol
LogP4.63
Rot. Bonds4

About [(Z)-[amino(naphthalen-1-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate

[(Z)-[amino(naphthalen-1-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate (PubChem CID 164870455) has the molecular formula C19H14Cl2N2O3 and a molecular weight of 389.24 g/mol. Its IUPAC name is [(Z)-[amino(naphthalen-1-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate.

Molecular Properties

Compound Name[(Z)-[amino(naphthalen-1-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate
PubChem CID164870455
Molecular FormulaC19H14Cl2N2O3
Molecular Weight389.24 g/mol
Exact Mass388.04
IUPAC Name[(Z)-[amino(naphthalen-1-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)O/N=C(\N)c1cccc2ccccc12
InChIInChI=1S/C19H14Cl2N2O3/c1-25-17-15(21)10-9-14(20)16(17)19(24)26-23-18(22)13-8-4-6-11-5-2-3-7-12(11)13/h2-10H,1H3,(H2,22,23)
InChIKeyHWWBSKVHLSHZNF-UHFFFAOYSA-N
XLogP4.63
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(Z)-[amino(naphthalen-1-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate with MolForge

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Related Compounds

[(Z)-(1-amino-2-phenylethylidene)amino] 3,6-dichloro-2-methoxybenzoate
CID 164870384
[[amino(pyridin-4-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate
CID 175558026
[4-(3,6-dichloro-2-methoxybenzoyl)oxyphthalazin-1-yl] 3,6-dichloro-2-methoxybenzoate;[6-(3,6-dichloro-2-methoxybenzoyl)oxypyridazin-3-yl] 3,6-dichloro-2-methoxybenzoate
CID 160861566
2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride
CID 169177858
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
[[amino-(2-chlorophenyl)methylidene]amino] 4-methylbenzoate
CID 2876644
2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate
CID 68783214
1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
CID 123946716
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
[2-[N-[1,2-bis[(3,6-dichloro-2-methoxybenzoyl)oxy]ethyl]anilino]-2-(3,6-dichloro-2-methoxybenzoyl)oxyethyl] 3,6-dichloro-2-methoxybenzoate
CID 23621110
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
CID 129133768
CID 129133768

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino(naphthalen-1-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate?
The IUPAC name of [(Z)-[amino(naphthalen-1-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate (CID 164870455) is [(Z)-[amino(naphthalen-1-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate.
What is the SMILES notation for [(Z)-[amino(naphthalen-1-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate?
The canonical SMILES for [(Z)-[amino(naphthalen-1-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate is COc1c(Cl)ccc(Cl)c1C(=O)O/N=C(\N)c1cccc2ccccc12.
What is the InChIKey of [(Z)-[amino(naphthalen-1-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate?
The InChIKey is HWWBSKVHLSHZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3/c1-25-17-15(21)10-9-14(20)16(17)19(24)26-23-18(22)13-8-4-6-11-5-2-3-7-12(11)13/h2-10H,1H3,(H2,22,23).
What are the key properties of [(Z)-[amino(naphthalen-1-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate?
[(Z)-[amino(naphthalen-1-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate has a molecular weight of 389.24 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino(naphthalen-1-yl)methylidene]amino] 3,6-dichloro-2-methoxybenzoate is sourced from PubChem (CID 164870455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).