N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide

C18H26FN3O2 — CID 119282895

IUPACN-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
SMILESCCCC(N)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C18H26FN3O2/c1-2-6-15(20)18(24)21-13-9-10-14(19)16(11-13)22-17(23)12-7-4-3-5-8-12/h9-12,15H,2-8,20H2,1H3,(H,21,24)(H,22,23)
InChIKeySNHKTWSIQODFEJ-UHFFFAOYSA-N
MW335.42 g/mol
LogP3.41
Rot. Bonds6

About N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide

N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide (PubChem CID 119282895) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
PubChem CID119282895
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
SMILESCCCC(N)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C18H26FN3O2/c1-2-6-15(20)18(24)21-13-9-10-14(19)16(11-13)22-17(23)12-7-4-3-5-8-12/h9-12,15H,2-8,20H2,1H3,(H,21,24)(H,22,23)
InChIKeySNHKTWSIQODFEJ-UHFFFAOYSA-N
XLogP3.41
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(2-amino-3-phenylpropanoyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 119282883
N-[5-[(2-amino-3-phenylpropanoyl)amino]-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282882
N-[5-(2-butylsulfanylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 55925288
N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 42948485
N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 55776993
N-[3-(2-aminopentanoylamino)-4-methylphenyl]cyclopropanecarboxamide;hydrochloride
CID 119290704
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
2-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pentanamide
CID 119289645
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
2-amino-N-(3-chloro-4-fluorophenyl)pentanamide
CID 43650208

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide (CID 119282895) is N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide is CCCC(N)C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide?
The InChIKey is SNHKTWSIQODFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-2-6-15(20)18(24)21-13-9-10-14(19)16(11-13)22-17(23)12-7-4-3-5-8-12/h9-12,15H,2-8,20H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide?
N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide has a molecular weight of 335.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide is sourced from PubChem (CID 119282895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).