N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide

C22H26FN3O2 — CID 42707248

IUPACN-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide
SMILESCc1ccccc1NC(=O)N(CCNC(=O)C1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O2/c1-16-6-2-5-9-20(16)25-22(28)26(19-12-10-18(23)11-13-19)15-14-24-21(27)17-7-3-4-8-17/h2,5-6,9-13,17H,3-4,7-8,14-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyZDSVRRKMPRKOJR-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.48
Rot. Bonds6

About N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide

N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide (PubChem CID 42707248) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide
PubChem CID42707248
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC NameN-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide
SMILESCc1ccccc1NC(=O)N(CCNC(=O)C1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C22H26FN3O2/c1-16-6-2-5-9-20(16)25-22(28)26(19-12-10-18(23)11-13-19)15-14-24-21(27)17-7-3-4-8-17/h2,5-6,9-13,17H,3-4,7-8,14-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyZDSVRRKMPRKOJR-UHFFFAOYSA-N
XLogP4.48
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]-2-phenylacetamide
CID 42707241
N-[2-[4-fluoro-N-[(4-methoxyphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide
CID 42707212
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]nonanamide
CID 42707250
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]heptanamide
CID 42707249
N-[3-[N-[(2-fluorophenyl)carbamoyl]anilino]propyl]cyclopropanecarboxamide
CID 42702472
N-[2-[4-phenoxy-N-(phenylcarbamoyl)anilino]ethyl]cyclobutanecarboxamide
CID 42708287
N-[3-(cyclobutanecarbonylamino)propyl]-4-fluoro-N-phenylbenzamide
CID 42705684
N-[2-[N-[(4-methylphenyl)carbamoyl]-3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxamide
CID 42700449
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide
CID 113059086
N-[2-(cyclohexanecarbonylamino)ethyl]-2-methylbenzamide
CID 108538982
1-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-(2-methylphenyl)urea
CID 11647475
N-[2-(N,4-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061690

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide (CID 42707248) is N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide is Cc1ccccc1NC(=O)N(CCNC(=O)C1CCCC1)c1ccc(F)cc1.
What is the InChIKey of N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide?
The InChIKey is ZDSVRRKMPRKOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-16-6-2-5-9-20(16)25-22(28)26(19-12-10-18(23)11-13-19)15-14-24-21(27)17-7-3-4-8-17/h2,5-6,9-13,17H,3-4,7-8,14-15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide?
N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide has a molecular weight of 383.47 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-fluoro-N-[(2-methylphenyl)carbamoyl]anilino]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 42707248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).