N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide

C16H12Cl2FNO — CID 110441688

IUPACN-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide
SMILESO=C(NC1(c2ccc(Cl)cc2Cl)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H12Cl2FNO/c17-11-3-6-13(14(18)9-11)16(7-8-16)20-15(21)10-1-4-12(19)5-2-10/h1-6,9H,7-8H2,(H,20,21)
InChIKeyVXSOOYXUHAJCGH-UHFFFAOYSA-N
MW324.18 g/mol
LogP4.55
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide

N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide (PubChem CID 110441688) has the molecular formula C16H12Cl2FNO and a molecular weight of 324.18 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide
PubChem CID110441688
Molecular FormulaC16H12Cl2FNO
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC NameN-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide
SMILESO=C(NC1(c2ccc(Cl)cc2Cl)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H12Cl2FNO/c17-11-3-6-13(14(18)9-11)16(7-8-16)20-15(21)10-1-4-12(19)5-2-10/h1-6,9H,7-8H2,(H,20,21)
InChIKeyVXSOOYXUHAJCGH-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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Related Compounds

N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685
2,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110443081
3,4-dichloro-N-[1-(4-fluorophenyl)cyclobutyl]benzamide
CID 110444172
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
3-chloro-4-cyano-N-[1-(2-fluorophenyl)cyclopropyl]benzamide
CID 146090668
N-[(2,4-dichlorophenyl)carbamothioyl]-4-fluorobenzamide
CID 823889
ethyl N-[1-(4-chloro-2-fluorophenyl)cyclopropyl]carbamate
CID 110479350
[1-(2-chloro-4-hydroxyphenyl)cyclopropyl]urea
CID 174510603
N-[1-(4-fluorophenyl)cyclopropyl]-3,4-dimethylbenzamide
CID 113091009
N-[1-(4-fluorophenyl)cyclopropyl]-4-methoxybenzamide
CID 110440290
2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide
CID 110445814
N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
CID 110440424

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide (CID 110441688) is N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide is O=C(NC1(c2ccc(Cl)cc2Cl)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide?
The InChIKey is VXSOOYXUHAJCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FNO/c17-11-3-6-13(14(18)9-11)16(7-8-16)20-15(21)10-1-4-12(19)5-2-10/h1-6,9H,7-8H2,(H,20,21).
What are the key properties of N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide?
N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-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 N-[1-(2,4-dichlorophenyl)cyclopropyl]-4-fluorobenzamide is sourced from PubChem (CID 110441688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).