5-[2-[(2-fluorocyclohexyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxamide

C18H22FN3O — CID 86299084

IUPAC5-[2-[(2-fluorocyclohexyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2NC2CCCCC2F)cc1C(N)=O
InChIInChI=1S/C18H22FN3O/c1-11-13(18(20)23)10-17(21-11)12-6-2-4-8-15(12)22-16-9-5-3-7-14(16)19/h2,4,6,8,10,14,16,21-22H,3,5,7,9H2,1H3,(H2,20,23)
InChIKeyRAHSDUALEIQREA-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.78
Rot. Bonds4

About 5-[2-[(2-fluorocyclohexyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxamide

5-[2-[(2-fluorocyclohexyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 86299084) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 5-[2-[(2-fluorocyclohexyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[2-[(2-fluorocyclohexyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID86299084
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name5-[2-[(2-fluorocyclohexyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2ccccc2NC2CCCCC2F)cc1C(N)=O
InChIInChI=1S/C18H22FN3O/c1-11-13(18(20)23)10-17(21-11)12-6-2-4-8-15(12)22-16-9-5-3-7-14(16)19/h2,4,6,8,10,14,16,21-22H,3,5,7,9H2,1H3,(H2,20,23)
InChIKeyRAHSDUALEIQREA-UHFFFAOYSA-N
XLogP3.78
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-fluorocyclohexyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[2-[(2-fluorocyclohexyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxamide (CID 86299084) is 5-[2-[(2-fluorocyclohexyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[2-[(2-fluorocyclohexyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[2-[(2-fluorocyclohexyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2ccccc2NC2CCCCC2F)cc1C(N)=O.
What is the InChIKey of 5-[2-[(2-fluorocyclohexyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is RAHSDUALEIQREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-11-13(18(20)23)10-17(21-11)12-6-2-4-8-15(12)22-16-9-5-3-7-14(16)19/h2,4,6,8,10,14,16,21-22H,3,5,7,9H2,1H3,(H2,20,23).
What are the key properties of 5-[2-[(2-fluorocyclohexyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
5-[2-[(2-fluorocyclohexyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 3.78, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-fluorocyclohexyl)amino]phenyl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 86299084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).