2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide

C16H12Cl2FNO — CID 110445814

IUPAC2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide
SMILESO=C(NC1(c2cccc(Cl)c2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C16H12Cl2FNO/c17-11-4-1-3-10(9-11)16(7-8-16)20-15(21)14-12(18)5-2-6-13(14)19/h1-6,9H,7-8H2,(H,20,21)
InChIKeyIKNYMXHBTWRVNO-UHFFFAOYSA-N
MW324.18 g/mol
LogP4.55
Rot. Bonds3

About 2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide

2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide (PubChem CID 110445814) has the molecular formula C16H12Cl2FNO and a molecular weight of 324.18 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide
PubChem CID110445814
Molecular FormulaC16H12Cl2FNO
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide
SMILESO=C(NC1(c2cccc(Cl)c2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C16H12Cl2FNO/c17-11-4-1-3-10(9-11)16(7-8-16)20-15(21)14-12(18)5-2-6-13(14)19/h1-6,9H,7-8H2,(H,20,21)
InChIKeyIKNYMXHBTWRVNO-UHFFFAOYSA-N
XLogP4.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide (CID 110445814) is 2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide is O=C(NC1(c2cccc(Cl)c2)CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide?
The InChIKey is IKNYMXHBTWRVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FNO/c17-11-4-1-3-10(9-11)16(7-8-16)20-15(21)14-12(18)5-2-6-13(14)19/h1-6,9H,7-8H2,(H,20,21).
What are the key properties of 2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide?
2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide has a molecular weight of 324.18 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide is sourced from PubChem (CID 110445814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).