N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide

C22H30FN3O3 — CID 55776993

IUPACN-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
SMILESCC(=O)NC(C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)C1CCCC1
InChIInChI=1S/C22H30FN3O3/c1-14(27)24-20(15-7-5-6-8-15)22(29)25-17-11-12-18(23)19(13-17)26-21(28)16-9-3-2-4-10-16/h11-13,15-16,20H,2-10H2,1H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyLDQPEOJZSADXFZ-UHFFFAOYSA-N
MW403.50 g/mol
LogP3.98
Rot. Bonds6

About N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide

N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide (PubChem CID 55776993) has the molecular formula C22H30FN3O3 and a molecular weight of 403.50 g/mol. Its IUPAC name is N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
PubChem CID55776993
Molecular FormulaC22H30FN3O3
Molecular Weight403.50 g/mol
Exact Mass403.23
IUPAC NameN-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
SMILESCC(=O)NC(C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)C1CCCC1
InChIInChI=1S/C22H30FN3O3/c1-14(27)24-20(15-7-5-6-8-15)22(29)25-17-11-12-18(23)19(13-17)26-21(28)16-9-3-2-4-10-16/h11-13,15-16,20H,2-10H2,1H3,(H,24,27)(H,25,29)(H,26,28)
InChIKeyLDQPEOJZSADXFZ-UHFFFAOYSA-N
XLogP3.98
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-[5-(2-aminopentanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 119282895
N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 42948485
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
N-[5-[(2-amino-3-phenylpropanoyl)amino]-2-fluorophenyl]cyclohexanecarboxamide
CID 119282883
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
N-[5-[(2-amino-3-phenylpropanoyl)amino]-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282882
N-[5-(2-butylsulfanylpropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide
CID 55925288
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-fluoro-4-methylbenzamide
CID 55722774
N-[1-[3-(cyclohexanecarbonylamino)-4-fluoroanilino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 47057222
N-(5-acetamido-2-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119279496
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-3-methylbenzamide
CID 55722520

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide (CID 55776993) is N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide is CC(=O)NC(C(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)C1CCCC1.
What is the InChIKey of N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide?
The InChIKey is LDQPEOJZSADXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN3O3/c1-14(27)24-20(15-7-5-6-8-15)22(29)25-17-11-12-18(23)19(13-17)26-21(28)16-9-3-2-4-10-16/h11-13,15-16,20H,2-10H2,1H3,(H,24,27)(H,25,29)(H,26,28).
What are the key properties of N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide?
N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide has a molecular weight of 403.50 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-acetamido-2-cyclopentylacetyl)amino]-2-fluorophenyl]cyclohexanecarboxamide is sourced from PubChem (CID 55776993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).