N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide

C19H17ClFN3O — CID 8977667

IUPACN-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CN(Cc1ccccc1F)C1CC1
InChIInChI=1S/C19H17ClFN3O/c20-15-6-5-13(10-22)18(9-15)23-19(25)12-24(16-7-8-16)11-14-3-1-2-4-17(14)21/h1-6,9,16H,7-8,11-12H2,(H,23,25)
InChIKeyNRKXARBPFXGMNM-UHFFFAOYSA-N
MW357.82 g/mol
LogP3.95
Rot. Bonds6

About N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide

N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide (PubChem CID 8977667) has the molecular formula C19H17ClFN3O and a molecular weight of 357.82 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
PubChem CID8977667
Molecular FormulaC19H17ClFN3O
Molecular Weight357.82 g/mol
Exact Mass357.10
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CN(Cc1ccccc1F)C1CC1
InChIInChI=1S/C19H17ClFN3O/c20-15-6-5-13(10-22)18(9-15)23-19(25)12-24(16-7-8-16)11-14-3-1-2-4-17(14)21/h1-6,9,16H,7-8,11-12H2,(H,23,25)
InChIKeyNRKXARBPFXGMNM-UHFFFAOYSA-N
XLogP3.95
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-[cyclohexylmethyl(cyclopropyl)amino]acetamide
CID 60513773
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8977734
N-(2-chloro-4-nitrophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8977916
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 26651079
N-(2-chloro-4-methylphenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8977549
N-(5-chloro-2-cyanophenyl)-2-(2-chlorophenyl)acetamide
CID 60628654
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8977636
1-(5-chloro-2-cyanophenyl)-3-(2-fluorophenyl)urea
CID 64918546
N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 27106314
N-(2-bromo-4,6-difluorophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 78827920
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 8977885
N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
CID 60645682

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide (CID 8977667) is N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide is N#Cc1ccc(Cl)cc1NC(=O)CN(Cc1ccccc1F)C1CC1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
The InChIKey is NRKXARBPFXGMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O/c20-15-6-5-13(10-22)18(9-15)23-19(25)12-24(16-7-8-16)11-14-3-1-2-4-17(14)21/h1-6,9,16H,7-8,11-12H2,(H,23,25).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide has a molecular weight of 357.82 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 8977667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).