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

C19H24ClN3O — CID 60513773

IUPACN-(5-chloro-2-cyanophenyl)-2-[cyclohexylmethyl(cyclopropyl)amino]acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CN(CC1CCCCC1)C1CC1
InChIInChI=1S/C19H24ClN3O/c20-16-7-6-15(11-21)18(10-16)22-19(24)13-23(17-8-9-17)12-14-4-2-1-3-5-14/h6-7,10,14,17H,1-5,8-9,12-13H2,(H,22,24)
InChIKeyGMBUZXXDTOAUHQ-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.19
Rot. Bonds6

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

N-(5-chloro-2-cyanophenyl)-2-[cyclohexylmethyl(cyclopropyl)amino]acetamide (PubChem CID 60513773) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-[cyclohexylmethyl(cyclopropyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-[cyclohexylmethyl(cyclopropyl)amino]acetamide
PubChem CID60513773
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-[cyclohexylmethyl(cyclopropyl)amino]acetamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)CN(CC1CCCCC1)C1CC1
InChIInChI=1S/C19H24ClN3O/c20-16-7-6-15(11-21)18(10-16)22-19(24)13-23(17-8-9-17)12-14-4-2-1-3-5-14/h6-7,10,14,17H,1-5,8-9,12-13H2,(H,22,24)
InChIKeyGMBUZXXDTOAUHQ-UHFFFAOYSA-N
XLogP4.19
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8977667
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CID 86876459
N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
CID 54917775
N-(5-chloro-2-cyanophenyl)-3-piperidin-2-ylpropanamide
CID 62211574
2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
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N-(5-chloro-2-cyanophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2697936
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2352785
2-(5-chloro-2-cyanoanilino)-N-cycloheptylacetamide
CID 64919202
2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 64684415
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(5-chloro-2-cyanophenyl)acetamide
CID 11940553
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78897433
N-(5-chloro-2-cyanophenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2660736

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[cyclohexylmethyl(cyclopropyl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[cyclohexylmethyl(cyclopropyl)amino]acetamide (CID 60513773) is N-(5-chloro-2-cyanophenyl)-2-[cyclohexylmethyl(cyclopropyl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-[cyclohexylmethyl(cyclopropyl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-[cyclohexylmethyl(cyclopropyl)amino]acetamide is N#Cc1ccc(Cl)cc1NC(=O)CN(CC1CCCCC1)C1CC1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-[cyclohexylmethyl(cyclopropyl)amino]acetamide?
The InChIKey is GMBUZXXDTOAUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c20-16-7-6-15(11-21)18(10-16)22-19(24)13-23(17-8-9-17)12-14-4-2-1-3-5-14/h6-7,10,14,17H,1-5,8-9,12-13H2,(H,22,24).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-[cyclohexylmethyl(cyclopropyl)amino]acetamide?
N-(5-chloro-2-cyanophenyl)-2-[cyclohexylmethyl(cyclopropyl)amino]acetamide has a molecular weight of 345.87 g/mol, XLogP of 4.19, 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-[cyclohexylmethyl(cyclopropyl)amino]acetamide is sourced from PubChem (CID 60513773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).