2-chlorobenzonitrile;1-(2-chlorophenyl)cyclopropan-1-amine

C16H14Cl2N2 — CID 161134756

IUPAC2-chlorobenzonitrile;1-(2-chlorophenyl)cyclopropan-1-amine
SMILESN#Cc1ccccc1Cl.NC1(c2ccccc2Cl)CC1
InChIInChI=1S/C9H10ClN.C7H4ClN/c10-8-4-2-1-3-7(8)9(11)5-6-9;8-7-4-2-1-3-6(7)5-9/h1-4H,5-6,11H2;1-4H
InChIKeyUMQLAJWTTCFAOL-UHFFFAOYSA-N
MW305.21 g/mol
LogP4.50
Rot. Bonds1

About 2-chlorobenzonitrile;1-(2-chlorophenyl)cyclopropan-1-amine

2-chlorobenzonitrile;1-(2-chlorophenyl)cyclopropan-1-amine (PubChem CID 161134756) has the molecular formula C16H14Cl2N2 and a molecular weight of 305.21 g/mol. Its IUPAC name is 2-chlorobenzonitrile;1-(2-chlorophenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-chlorobenzonitrile;1-(2-chlorophenyl)cyclopropan-1-amine
PubChem CID161134756
Molecular FormulaC16H14Cl2N2
Molecular Weight305.21 g/mol
Exact Mass304.05
IUPAC Name2-chlorobenzonitrile;1-(2-chlorophenyl)cyclopropan-1-amine
SMILESN#Cc1ccccc1Cl.NC1(c2ccccc2Cl)CC1
InChIInChI=1S/C9H10ClN.C7H4ClN/c10-8-4-2-1-3-7(8)9(11)5-6-9;8-7-4-2-1-3-6(7)5-9/h1-4H,5-6,11H2;1-4H
InChIKeyUMQLAJWTTCFAOL-UHFFFAOYSA-N
XLogP4.50
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzonitrile;1-(2-chlorophenyl)cyclopropan-1-amine?
The IUPAC name of 2-chlorobenzonitrile;1-(2-chlorophenyl)cyclopropan-1-amine (CID 161134756) is 2-chlorobenzonitrile;1-(2-chlorophenyl)cyclopropan-1-amine.
What is the SMILES notation for 2-chlorobenzonitrile;1-(2-chlorophenyl)cyclopropan-1-amine?
The canonical SMILES for 2-chlorobenzonitrile;1-(2-chlorophenyl)cyclopropan-1-amine is N#Cc1ccccc1Cl.NC1(c2ccccc2Cl)CC1.
What is the InChIKey of 2-chlorobenzonitrile;1-(2-chlorophenyl)cyclopropan-1-amine?
The InChIKey is UMQLAJWTTCFAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN.C7H4ClN/c10-8-4-2-1-3-7(8)9(11)5-6-9;8-7-4-2-1-3-6(7)5-9/h1-4H,5-6,11H2;1-4H.
What are the key properties of 2-chlorobenzonitrile;1-(2-chlorophenyl)cyclopropan-1-amine?
2-chlorobenzonitrile;1-(2-chlorophenyl)cyclopropan-1-amine has a molecular weight of 305.21 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzonitrile;1-(2-chlorophenyl)cyclopropan-1-amine is sourced from PubChem (CID 161134756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).