N-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide

C18H20F2N2O — CID 42810286

IUPACN-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide
SMILESCc1c(C)c(C(=O)NC2CC2)n(Cc2ccc(F)c(F)c2)c1C
InChIInChI=1S/C18H20F2N2O/c1-10-11(2)17(18(23)21-14-5-6-14)22(12(10)3)9-13-4-7-15(19)16(20)8-13/h4,7-8,14H,5-6,9H2,1-3H3,(H,21,23)
InChIKeySMVNVNJWNDWMBT-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.63
Rot. Bonds4

About N-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide

N-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide (PubChem CID 42810286) has the molecular formula C18H20F2N2O and a molecular weight of 318.37 g/mol. Its IUPAC name is N-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide
PubChem CID42810286
Molecular FormulaC18H20F2N2O
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC NameN-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide
SMILESCc1c(C)c(C(=O)NC2CC2)n(Cc2ccc(F)c(F)c2)c1C
InChIInChI=1S/C18H20F2N2O/c1-10-11(2)17(18(23)21-14-5-6-14)22(12(10)3)9-13-4-7-15(19)16(20)8-13/h4,7-8,14H,5-6,9H2,1-3H3,(H,21,23)
InChIKeySMVNVNJWNDWMBT-UHFFFAOYSA-N
XLogP3.63
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide (CID 42810286) is N-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide is Cc1c(C)c(C(=O)NC2CC2)n(Cc2ccc(F)c(F)c2)c1C.
What is the InChIKey of N-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide?
The InChIKey is SMVNVNJWNDWMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O/c1-10-11(2)17(18(23)21-14-5-6-14)22(12(10)3)9-13-4-7-15(19)16(20)8-13/h4,7-8,14H,5-6,9H2,1-3H3,(H,21,23).
What are the key properties of N-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide?
N-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide has a molecular weight of 318.37 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide is sourced from PubChem (CID 42810286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).