1-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide

C20H28ClFN2O — CID 155757718

IUPAC1-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCCC1
InChIInChI=1S/C20H28ClFN2O/c21-18-13-16(22)7-8-17(18)15-5-3-14(4-6-15)9-12-24-20(19(23)25)10-1-2-11-20/h7-8,13-15,24H,1-6,9-12H2,(H2,23,25)
InChIKeyNTYTYRRXXATAFK-UHFFFAOYSA-N
MW366.91 g/mol
LogP4.53
Rot. Bonds6

About 1-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide

1-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide (PubChem CID 155757718) has the molecular formula C20H28ClFN2O and a molecular weight of 366.91 g/mol. Its IUPAC name is 1-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide
PubChem CID155757718
Molecular FormulaC20H28ClFN2O
Molecular Weight366.91 g/mol
Exact Mass366.19
IUPAC Name1-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide
SMILESNC(=O)C1(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCCC1
InChIInChI=1S/C20H28ClFN2O/c21-18-13-16(22)7-8-17(18)15-5-3-14(4-6-15)9-12-24-20(19(23)25)10-1-2-11-20/h7-8,13-15,24H,1-6,9-12H2,(H2,23,25)
InChIKeyNTYTYRRXXATAFK-UHFFFAOYSA-N
XLogP4.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide?
The IUPAC name of 1-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide (CID 155757718) is 1-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide is NC(=O)C1(NCCC2CCC(c3ccc(F)cc3Cl)CC2)CCCC1.
What is the InChIKey of 1-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide?
The InChIKey is NTYTYRRXXATAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClFN2O/c21-18-13-16(22)7-8-17(18)15-5-3-14(4-6-15)9-12-24-20(19(23)25)10-1-2-11-20/h7-8,13-15,24H,1-6,9-12H2,(H2,23,25).
What are the key properties of 1-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide?
1-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide has a molecular weight of 366.91 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-chloro-4-fluorophenyl)cyclohexyl]ethylamino]cyclopentane-1-carboxamide is sourced from PubChem (CID 155757718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).