N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide

C18H14ClFN2O — CID 17491721

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide
SMILESN#Cc1ccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1
InChIInChI=1S/C18H14ClFN2O/c19-16-2-1-3-17(20)15(16)11-22(14-8-9-14)18(23)13-6-4-12(10-21)5-7-13/h1-7,14H,8-9,11H2
InChIKeyIDXBHRVNZZDKES-UHFFFAOYSA-N
MW328.77 g/mol
LogP4.16
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide

N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide (PubChem CID 17491721) has the molecular formula C18H14ClFN2O and a molecular weight of 328.77 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide
PubChem CID17491721
Molecular FormulaC18H14ClFN2O
Molecular Weight328.77 g/mol
Exact Mass328.08
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide
SMILESN#Cc1ccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1
InChIInChI=1S/C18H14ClFN2O/c19-16-2-1-3-17(20)15(16)11-22(14-8-9-14)18(23)13-6-4-12(10-21)5-7-13/h1-7,14H,8-9,11H2
InChIKeyIDXBHRVNZZDKES-UHFFFAOYSA-N
XLogP4.16
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.77
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46553427
3,6-dichloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyridine-2-carboxamide
CID 46533927
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-methyl-3-nitrobenzamide
CID 46420693
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 16606779
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46536550
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
CID 46533760
1-benzyl-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpyrazole-4-carboxamide
CID 46632706
5-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylpentanamide
CID 107909248
N-[(2-chloro-6-fluorophenyl)methyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-4-(2-methylpropoxy)benzamide
CID 27314640
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-(cyclopropylamino)-3-nitrobenzamide
CID 16619223
cis-(1R,3S)-3-[(2-chloro-6-fluorophenyl)methyl-cyclopropylcarbamoyl]cyclopentane-1-carboxylic acid
CID 171912650
2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropylbutanamide
CID 62855039

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide (CID 17491721) is N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide is N#Cc1ccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide?
The InChIKey is IDXBHRVNZZDKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O/c19-16-2-1-3-17(20)15(16)11-22(14-8-9-14)18(23)13-6-4-12(10-21)5-7-13/h1-7,14H,8-9,11H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide?
N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide has a molecular weight of 328.77 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-4-cyano-N-cyclopropylbenzamide is sourced from PubChem (CID 17491721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).