3-amino-N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]benzamide

C23H30ClN3O2 — CID 110512173

IUPAC3-amino-N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]benzamide
SMILESCCCCCCCCCOc1ccc(/C=N\NC(=O)c2cccc(N)c2)cc1Cl
InChIInChI=1S/C23H30ClN3O2/c1-2-3-4-5-6-7-8-14-29-22-13-12-18(15-21(22)24)17-26-27-23(28)19-10-9-11-20(25)16-19/h9-13,15-17H,2-8,14,25H2,1H3,(H,27,28)/b26-17-
InChIKeyPDCNOUBSTVIDTI-ONUIUJJFSA-N
MW415.97 g/mol
LogP5.82
Rot. Bonds12

About 3-amino-N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]benzamide

3-amino-N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]benzamide (PubChem CID 110512173) has the molecular formula C23H30ClN3O2 and a molecular weight of 415.97 g/mol. Its IUPAC name is 3-amino-N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-amino-N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]benzamide
PubChem CID110512173
Molecular FormulaC23H30ClN3O2
Molecular Weight415.97 g/mol
Exact Mass415.20
IUPAC Name3-amino-N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]benzamide
SMILESCCCCCCCCCOc1ccc(/C=N\NC(=O)c2cccc(N)c2)cc1Cl
InChIInChI=1S/C23H30ClN3O2/c1-2-3-4-5-6-7-8-14-29-22-13-12-18(15-21(22)24)17-26-27-23(28)19-10-9-11-20(25)16-19/h9-13,15-17H,2-8,14,25H2,1H3,(H,27,28)/b26-17-
InChIKeyPDCNOUBSTVIDTI-ONUIUJJFSA-N
XLogP5.82
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.97
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(Z)-(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110512249
[(3-chloro-4-pentoxyphenyl)methylideneamino]thiourea
CID 168534419
3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
CID 110512153
[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea
CID 110540127
1-[(E)-(3-chloro-4-nonoxyphenyl)methylideneamino]-3-ethylthiourea
CID 110508681
N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 110515391
N-[(E)-[3-chloro-4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126323378
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 126333569
4-chloro-N-[(5-chloro-2-octoxyphenyl)methylideneamino]benzamide
CID 3312356
2-[2-chloro-4-[(E)-[(3-methoxy-4-propoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126316909
3-fluoro-N-[(4-heptoxyphenyl)methylideneamino]benzamide
CID 3886255
2-(4-aminophenyl)-N-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]acetamide
CID 110515156

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 3-amino-N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]benzamide (CID 110512173) is 3-amino-N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-amino-N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-amino-N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]benzamide is CCCCCCCCCOc1ccc(/C=N\NC(=O)c2cccc(N)c2)cc1Cl.
What is the InChIKey of 3-amino-N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]benzamide?
The InChIKey is PDCNOUBSTVIDTI-ONUIUJJFSA-N. The full InChI is InChI=1S/C23H30ClN3O2/c1-2-3-4-5-6-7-8-14-29-22-13-12-18(15-21(22)24)17-26-27-23(28)19-10-9-11-20(25)16-19/h9-13,15-17H,2-8,14,25H2,1H3,(H,27,28)/b26-17-.
What are the key properties of 3-amino-N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]benzamide?
3-amino-N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]benzamide has a molecular weight of 415.97 g/mol, XLogP of 5.82, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(Z)-(3-chloro-4-nonoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110512173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).