2-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile

C15H12Cl2N2O — CID 107466891

IUPAC2-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1NCc1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl2N2O/c1-20-13-7-3-4-10(8-18)15(13)19-9-11-5-2-6-12(16)14(11)17/h2-7,19H,9H2,1H3
InChIKeyCQHBVPAYRLZIQW-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.49
Rot. Bonds4

About 2-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile

2-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile (PubChem CID 107466891) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile
PubChem CID107466891
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name2-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1NCc1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl2N2O/c1-20-13-7-3-4-10(8-18)15(13)19-9-11-5-2-6-12(16)14(11)17/h2-7,19H,9H2,1H3
InChIKeyCQHBVPAYRLZIQW-UHFFFAOYSA-N
XLogP4.49
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile
CID 107467002
2-[(3-chloro-4-methylphenyl)methylamino]-3-methoxybenzonitrile
CID 107466784
2-[(2-bromo-4-fluorophenyl)methylamino]-3-methoxybenzonitrile
CID 107467448
4-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile
CID 104848307
2-[(4-cyano-2-fluorophenyl)methylamino]-3-methoxybenzonitrile
CID 107467415
2-(but-2-ynylamino)-3-methoxybenzonitrile
CID 107467432
3-methoxy-2-[[3-(methoxymethyl)phenyl]methylamino]benzonitrile
CID 107467080
2-[(4-chloro-2,5-dimethoxyanilino)methyl]benzonitrile
CID 29277459
2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107741174
2-[(3-hydroxy-4-methoxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107467113
2-[(3,4-difluorophenyl)methylamino]-3-methoxybenzonitrile
CID 107466691
2-[(3-chloro-2-methoxyanilino)methyl]benzonitrile
CID 47077690

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile?
The IUPAC name of 2-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile (CID 107466891) is 2-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile is COc1cccc(C#N)c1NCc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile?
The InChIKey is CQHBVPAYRLZIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-20-13-7-3-4-10(8-18)15(13)19-9-11-5-2-6-12(16)14(11)17/h2-7,19H,9H2,1H3.
What are the key properties of 2-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile?
2-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile has a molecular weight of 307.18 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile is sourced from PubChem (CID 107466891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).