2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide

C21H18ClN3O2 — CID 21370994

IUPAC2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESNc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C21H18ClN3O2/c22-19-10-3-1-7-16(19)14-27-17-8-5-6-15(12-17)13-24-25-21(26)18-9-2-4-11-20(18)23/h1-13H,14,23H2,(H,25,26)/b24-13+
InChIKeyYYWGSHKPYBMQQN-ZMOGYAJESA-N
MW379.85 g/mol
LogP4.27
Rot. Bonds6

About 2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide

2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide (PubChem CID 21370994) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
PubChem CID21370994
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
SMILESNc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C21H18ClN3O2/c22-19-10-3-1-7-16(19)14-27-17-8-5-6-15(12-17)13-24-25-21(26)18-9-2-4-11-20(18)23/h1-13H,14,23H2,(H,25,26)/b24-13+
InChIKeyYYWGSHKPYBMQQN-ZMOGYAJESA-N
XLogP4.27
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

4-amino-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 9034423
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657769
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pyridine-2-carboxamide
CID 9194640
2-amino-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110340971
2-amino-N-[(E)-[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21370999
2-amino-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 110340423
2-amino-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide
CID 110337163
4-[(4-bromophenyl)methoxy]-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 124543069
1-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methylthiourea
CID 4164243
3-acetamido-N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3569074
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 9214732
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110340663

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide (CID 21370994) is 2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide is Nc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of 2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
The InChIKey is YYWGSHKPYBMQQN-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H18ClN3O2/c22-19-10-3-1-7-16(19)14-27-17-8-5-6-15(12-17)13-24-25-21(26)18-9-2-4-11-20(18)23/h1-13H,14,23H2,(H,25,26)/b24-13+.
What are the key properties of 2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide?
2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide has a molecular weight of 379.85 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide is sourced from PubChem (CID 21370994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).