N-cyclohexyl-2-[[2-(3-fluorophenyl)acetyl]amino]butanediamide

C18H24FN3O3 — CID 126828936

IUPACN-cyclohexyl-2-[[2-(3-fluorophenyl)acetyl]amino]butanediamide
SMILESNC(=O)CC(NC(=O)Cc1cccc(F)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H24FN3O3/c19-13-6-4-5-12(9-13)10-17(24)22-15(11-16(20)23)18(25)21-14-7-2-1-3-8-14/h4-6,9,14-15H,1-3,7-8,10-11H2,(H2,20,23)(H,21,25)(H,22,24)
InChIKeyCNDPUCVKAFLKHG-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.18
Rot. Bonds7

About N-cyclohexyl-2-[[2-(3-fluorophenyl)acetyl]amino]butanediamide

N-cyclohexyl-2-[[2-(3-fluorophenyl)acetyl]amino]butanediamide (PubChem CID 126828936) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-(3-fluorophenyl)acetyl]amino]butanediamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-(3-fluorophenyl)acetyl]amino]butanediamide
PubChem CID126828936
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC NameN-cyclohexyl-2-[[2-(3-fluorophenyl)acetyl]amino]butanediamide
SMILESNC(=O)CC(NC(=O)Cc1cccc(F)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C18H24FN3O3/c19-13-6-4-5-12(9-13)10-17(24)22-15(11-16(20)23)18(25)21-14-7-2-1-3-8-14/h4-6,9,14-15H,1-3,7-8,10-11H2,(H2,20,23)(H,21,25)(H,22,24)
InChIKeyCNDPUCVKAFLKHG-UHFFFAOYSA-N
XLogP1.18
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-(3-fluorophenyl)acetate
CID 9460662
N-(4-aminocyclohexyl)-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119260253
N-(4-chlorocyclohexyl)-2-(3-fluorophenyl)acetamide
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(2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide
CID 51946941
N-[2-[(2-amino-1-cyclohexylethyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 119590413
N-[2-(cycloheptylamino)ethyl]-2-(3-fluorophenyl)acetamide;hydrochloride
CID 119261120
2-(3-fluorophenyl)-N-(4-methylcyclohexyl)acetamide
CID 78786047
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
N-[6-(cyclopentylamino)pyridazin-3-yl]-2-(3-fluorophenyl)acetamide
CID 113038874
4-[[2-(3-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60808861
2-(3-fluorophenyl)-N-piperidin-3-ylacetamide
CID 18071271

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-(3-fluorophenyl)acetyl]amino]butanediamide?
The IUPAC name of N-cyclohexyl-2-[[2-(3-fluorophenyl)acetyl]amino]butanediamide (CID 126828936) is N-cyclohexyl-2-[[2-(3-fluorophenyl)acetyl]amino]butanediamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-(3-fluorophenyl)acetyl]amino]butanediamide?
The canonical SMILES for N-cyclohexyl-2-[[2-(3-fluorophenyl)acetyl]amino]butanediamide is NC(=O)CC(NC(=O)Cc1cccc(F)c1)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[2-(3-fluorophenyl)acetyl]amino]butanediamide?
The InChIKey is CNDPUCVKAFLKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c19-13-6-4-5-12(9-13)10-17(24)22-15(11-16(20)23)18(25)21-14-7-2-1-3-8-14/h4-6,9,14-15H,1-3,7-8,10-11H2,(H2,20,23)(H,21,25)(H,22,24).
What are the key properties of N-cyclohexyl-2-[[2-(3-fluorophenyl)acetyl]amino]butanediamide?
N-cyclohexyl-2-[[2-(3-fluorophenyl)acetyl]amino]butanediamide has a molecular weight of 349.41 g/mol, XLogP of 1.18, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-(3-fluorophenyl)acetyl]amino]butanediamide is sourced from PubChem (CID 126828936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).