N-[3-chloro-4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]phenyl]-2-(5-cyanopyrazin-2-yl)acetamide

C23H21ClFN5O — CID 148953969

IUPACN-[3-chloro-4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]phenyl]-2-(5-cyanopyrazin-2-yl)acetamide
SMILESCN(CCc1ccc(NC(=O)Cc2cnc(C#N)cn2)cc1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C23H21ClFN5O/c1-30(15-16-2-5-18(25)6-3-16)9-8-17-4-7-19(10-22(17)24)29-23(31)11-20-13-28-21(12-26)14-27-20/h2-7,10,13-14H,8-9,11,15H2,1H3,(H,29,31)
InChIKeyPQMHXOFUVBOTBB-UHFFFAOYSA-N
MW437.91 g/mol
LogP4.00
Rot. Bonds8

About N-[3-chloro-4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]phenyl]-2-(5-cyanopyrazin-2-yl)acetamide

N-[3-chloro-4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]phenyl]-2-(5-cyanopyrazin-2-yl)acetamide (PubChem CID 148953969) has the molecular formula C23H21ClFN5O and a molecular weight of 437.91 g/mol. Its IUPAC name is N-[3-chloro-4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]phenyl]-2-(5-cyanopyrazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]phenyl]-2-(5-cyanopyrazin-2-yl)acetamide
PubChem CID148953969
Molecular FormulaC23H21ClFN5O
Molecular Weight437.91 g/mol
Exact Mass437.14
IUPAC NameN-[3-chloro-4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]phenyl]-2-(5-cyanopyrazin-2-yl)acetamide
SMILESCN(CCc1ccc(NC(=O)Cc2cnc(C#N)cn2)cc1Cl)Cc1ccc(F)cc1
InChIInChI=1S/C23H21ClFN5O/c1-30(15-16-2-5-18(25)6-3-16)9-8-17-4-7-19(10-22(17)24)29-23(31)11-20-13-28-21(12-26)14-27-20/h2-7,10,13-14H,8-9,11,15H2,1H3,(H,29,31)
InChIKeyPQMHXOFUVBOTBB-UHFFFAOYSA-N
XLogP4.00
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-[4-(2,4-difluorophenyl)butoxy]phenyl]-2-(5-cyanopyrazin-2-yl)acetamide
CID 161183240
2-(5-cyanopyrazin-2-yl)-N-[4-(3-phenylpropyl)phenyl]acetamide
CID 159232950
1-[3-chloro-4-[2-[(2,4-difluorophenyl)methylamino]ethyl]phenyl]-3-(5-cyanopyrazin-2-yl)urea
CID 54596896
tert-butyl N-[2-[2-chloro-4-[(5-cyanopyrazin-2-yl)carbamoylamino]-5-methoxyphenyl]ethyl]-N-[(4-fluorophenyl)methyl]carbamate
CID 67468999
N-(3,4-dichlorophenyl)-2-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 78787930
2-[(6-cyano-3-pyridinyl)-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 133352459
2-[(5-cyano-2-fluorophenyl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 18131356
N-(3,4-difluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 2658802
N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2448530
2-[3-cyanopropyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 17415308
2-(4-chlorophenyl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316311
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]phenyl]-2-(5-cyanopyrazin-2-yl)acetamide?
The IUPAC name of N-[3-chloro-4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]phenyl]-2-(5-cyanopyrazin-2-yl)acetamide (CID 148953969) is N-[3-chloro-4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]phenyl]-2-(5-cyanopyrazin-2-yl)acetamide.
What is the SMILES notation for N-[3-chloro-4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]phenyl]-2-(5-cyanopyrazin-2-yl)acetamide?
The canonical SMILES for N-[3-chloro-4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]phenyl]-2-(5-cyanopyrazin-2-yl)acetamide is CN(CCc1ccc(NC(=O)Cc2cnc(C#N)cn2)cc1Cl)Cc1ccc(F)cc1.
What is the InChIKey of N-[3-chloro-4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]phenyl]-2-(5-cyanopyrazin-2-yl)acetamide?
The InChIKey is PQMHXOFUVBOTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O/c1-30(15-16-2-5-18(25)6-3-16)9-8-17-4-7-19(10-22(17)24)29-23(31)11-20-13-28-21(12-26)14-27-20/h2-7,10,13-14H,8-9,11,15H2,1H3,(H,29,31).
What are the key properties of N-[3-chloro-4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]phenyl]-2-(5-cyanopyrazin-2-yl)acetamide?
N-[3-chloro-4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]phenyl]-2-(5-cyanopyrazin-2-yl)acetamide has a molecular weight of 437.91 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]phenyl]-2-(5-cyanopyrazin-2-yl)acetamide is sourced from PubChem (CID 148953969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).