4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile

C15H12Cl2N2O — CID 61036659

IUPAC4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile
SMILESCOc1ccc(Cl)cc1CNc1cc(Cl)ccc1C#N
InChIInChI=1S/C15H12Cl2N2O/c1-20-15-5-4-12(16)6-11(15)9-19-14-7-13(17)3-2-10(14)8-18/h2-7,19H,9H2,1H3
InChIKeyFTVLADZTSSEVHP-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.49
Rot. Bonds4

About 4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile

4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile (PubChem CID 61036659) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile
PubChem CID61036659
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile
SMILESCOc1ccc(Cl)cc1CNc1cc(Cl)ccc1C#N
InChIInChI=1S/C15H12Cl2N2O/c1-20-15-5-4-12(16)6-11(15)9-19-14-7-13(17)3-2-10(14)8-18/h2-7,19H,9H2,1H3
InChIKeyFTVLADZTSSEVHP-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

4-acetyl-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile
CID 133456273
2-[(5-chloro-2-methoxyanilino)methyl]benzonitrile
CID 28578246
4-chloro-2-[(3,5-dibromo-2-methoxyphenyl)methylamino]benzonitrile
CID 43780525
4-chloro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 43681545
4-chloro-2-[(2-propan-2-yloxyphenyl)methylamino]benzonitrile
CID 43780520
methyl 2-[(5-chloro-2-cyanoanilino)methyl]benzoate
CID 43780521
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
4-chloro-2-[(2-hydroxy-5-methylphenyl)methylamino]benzonitrile
CID 63326527
4-bromo-2-[(2-methoxyphenyl)methylamino]benzonitrile
CID 24903115
2-[(5-bromo-2-methoxyphenyl)methylamino]benzonitrile
CID 43244253
5-chloro-2-fluoro-N-[(2-methoxy-5-nitrophenyl)methyl]aniline
CID 43385720
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-[(5-chloro-2-methoxyphenyl)methyl]-methylazanium
CID 9136464

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile?
The IUPAC name of 4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile (CID 61036659) is 4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile.
What is the SMILES notation for 4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile?
The canonical SMILES for 4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile is COc1ccc(Cl)cc1CNc1cc(Cl)ccc1C#N.
What is the InChIKey of 4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile?
The InChIKey is FTVLADZTSSEVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c1-20-15-5-4-12(16)6-11(15)9-19-14-7-13(17)3-2-10(14)8-18/h2-7,19H,9H2,1H3.
What are the key properties of 4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile?
4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile 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 4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile is sourced from PubChem (CID 61036659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).