N,N-bis(2-cyanoethyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide

C18H21FN4O — CID 86911668

IUPACN,N-bis(2-cyanoethyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
SMILESN#CCCN(CCC#N)C(=O)CN(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H21FN4O/c19-17-6-2-1-5-15(17)13-23(16-7-8-16)14-18(24)22(11-3-9-20)12-4-10-21/h1-2,5-6,16H,3-4,7-8,11-14H2
InChIKeyNBORGQGMALBNKP-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.45
Rot. Bonds9

About N,N-bis(2-cyanoethyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide

N,N-bis(2-cyanoethyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide (PubChem CID 86911668) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
PubChem CID86911668
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC NameN,N-bis(2-cyanoethyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
SMILESN#CCCN(CCC#N)C(=O)CN(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H21FN4O/c19-17-6-2-1-5-15(17)13-23(16-7-8-16)14-18(24)22(11-3-9-20)12-4-10-21/h1-2,5-6,16H,3-4,7-8,11-14H2
InChIKeyNBORGQGMALBNKP-UHFFFAOYSA-N
XLogP2.45
TPSA71.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile
CID 62048932
3-[(3-amino-2-fluorophenyl)methyl-cyclopropylamino]propanenitrile
CID 107347349
N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 27106314
N-(5-chloro-2-cyanophenyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 8977667
N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine
CID 112828716
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 26651079
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 18088884
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 8977734
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27106162
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol
CID 110932461
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 26010059

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide (CID 86911668) is N,N-bis(2-cyanoethyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide is N#CCCN(CCC#N)C(=O)CN(Cc1ccccc1F)C1CC1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
The InChIKey is NBORGQGMALBNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-17-6-2-1-5-15(17)13-23(16-7-8-16)14-18(24)22(11-3-9-20)12-4-10-21/h1-2,5-6,16H,3-4,7-8,11-14H2.
What are the key properties of N,N-bis(2-cyanoethyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide?
N,N-bis(2-cyanoethyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide has a molecular weight of 328.39 g/mol, XLogP of 2.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 86911668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).