2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide

C17H14ClF2NO — CID 42266029

IUPAC2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C17H14ClF2NO/c18-13-2-1-3-14(20)15(13)16(22)21-10-17(8-9-17)11-4-6-12(19)7-5-11/h1-7H,8-10H2,(H,21,22)
InChIKeyJNYSTZVQAOOUMJ-UHFFFAOYSA-N
MW321.75 g/mol
LogP4.08
Rot. Bonds4

About 2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide

2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide (PubChem CID 42266029) has the molecular formula C17H14ClF2NO and a molecular weight of 321.75 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
PubChem CID42266029
Molecular FormulaC17H14ClF2NO
Molecular Weight321.75 g/mol
Exact Mass321.07
IUPAC Name2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
SMILESO=C(NCC1(c2ccc(F)cc2)CC1)c1c(F)cccc1Cl
InChIInChI=1S/C17H14ClF2NO/c18-13-2-1-3-14(20)15(13)16(22)21-10-17(8-9-17)11-4-6-12(19)7-5-11/h1-7H,8-10H2,(H,21,22)
InChIKeyJNYSTZVQAOOUMJ-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.75
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide
CID 110445812
2-chloro-6-fluoro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448939
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-fluorobenzamide
CID 42265696
2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide
CID 114758157
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide
CID 115267344
2-bromo-5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 78891040
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-hydroxy-3-methylbenzamide
CID 112835532
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2,6-dimethylbenzamide
CID 71869222
5-chloro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-nitrobenzamide
CID 42266014
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]thiophene-2-carboxamide
CID 42266039
2-chloro-6-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzamide
CID 30865871

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide (CID 42266029) is 2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide is O=C(NCC1(c2ccc(F)cc2)CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide?
The InChIKey is JNYSTZVQAOOUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2NO/c18-13-2-1-3-14(20)15(13)16(22)21-10-17(8-9-17)11-4-6-12(19)7-5-11/h1-7H,8-10H2,(H,21,22).
What are the key properties of 2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide?
2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide has a molecular weight of 321.75 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide is sourced from PubChem (CID 42266029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).