N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide

C18H23FN2O — CID 112789852

IUPACN-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2F)c(C)n1C(C)C
InChIInChI=1S/C18H23FN2O/c1-12(2)21-13(3)10-16(14(21)4)18(22)20(5)11-15-8-6-7-9-17(15)19/h6-10,12H,11H2,1-5H3
InChIKeyWZLBWDHPCWFDLV-UHFFFAOYSA-N
MW302.39 g/mol
LogP4.10
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide

N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 112789852) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID112789852
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC NameN-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2F)c(C)n1C(C)C
InChIInChI=1S/C18H23FN2O/c1-12(2)21-13(3)10-16(14(21)4)18(22)20(5)11-15-8-6-7-9-17(15)19/h6-10,12H,11H2,1-5H3
InChIKeyWZLBWDHPCWFDLV-UHFFFAOYSA-N
XLogP4.10
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78864105
2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)-methylamino]acetic acid
CID 119172481
N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 135877066
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103852799
2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78768857
4-chloro-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 60628192
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 78771701
N,2,5-trimethyl-N-[(2-morpholin-4-ylphenyl)methyl]-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 78852655
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-methylbenzoyl)benzamide
CID 36816287
3,5-dibromo-N-[(2-fluorophenyl)methyl]-2-hydroxy-N-methylbenzamide
CID 2546525

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide (CID 112789852) is N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)N(C)Cc2ccccc2F)c(C)n1C(C)C.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is WZLBWDHPCWFDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c1-12(2)21-13(3)10-16(14(21)4)18(22)20(5)11-15-8-6-7-9-17(15)19/h6-10,12H,11H2,1-5H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide?
N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 302.39 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 112789852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).