N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-ethyl-1H-pyrrole-3-carboxamide

C15H16F2N2O — CID 125142754

IUPACN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-ethyl-1H-pyrrole-3-carboxamide
SMILESCCc1[nH]ccc1C(=O)N[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C15H16F2N2O/c1-3-14-12(6-7-18-14)15(20)19-9(2)11-5-4-10(16)8-13(11)17/h4-9,18H,3H2,1-2H3,(H,19,20)/t9-/m1/s1
InChIKeyYRNRFSGKDOCHBM-SECBINFHSA-N
MW278.30 g/mol
LogP3.35
Rot. Bonds4

About N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-ethyl-1H-pyrrole-3-carboxamide

N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-ethyl-1H-pyrrole-3-carboxamide (PubChem CID 125142754) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-ethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-ethyl-1H-pyrrole-3-carboxamide
PubChem CID125142754
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC NameN-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-ethyl-1H-pyrrole-3-carboxamide
SMILESCCc1[nH]ccc1C(=O)N[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C15H16F2N2O/c1-3-14-12(6-7-18-14)15(20)19-9(2)11-5-4-10(16)8-13(11)17/h4-9,18H,3H2,1-2H3,(H,19,20)/t9-/m1/s1
InChIKeyYRNRFSGKDOCHBM-SECBINFHSA-N
XLogP3.35
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-fluorobenzamide
CID 8782133
N-[1-(2,4-difluorophenyl)ethyl]-5-ethylfuran-2-carboxamide
CID 86930731
N-[1-(2,4-difluorophenyl)ethyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
CID 42959972
N-[1-(2,4-difluorophenyl)ethyl]-2,3-dimethylbenzamide
CID 112763839
2,5-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzamide
CID 114371082
2-amino-N-[1-(2,4-difluorophenyl)ethyl]-2-ethylbutanamide
CID 79810222
(2S)-2-amino-N-[1-(2,4-difluorophenyl)ethyl]butanamide;hydrochloride
CID 119269517
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 26001406
ethyl N-[1-(2,4-difluorophenyl)ethyl]carbamate
CID 60638339
N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
CID 112763849
N-[1-(2,4-difluorophenyl)ethyl]-2,3,4-trimethoxybenzamide
CID 51150413

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-ethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-ethyl-1H-pyrrole-3-carboxamide (CID 125142754) is N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-ethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-ethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-ethyl-1H-pyrrole-3-carboxamide is CCc1[nH]ccc1C(=O)N[C@H](C)c1ccc(F)cc1F.
What is the InChIKey of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-ethyl-1H-pyrrole-3-carboxamide?
The InChIKey is YRNRFSGKDOCHBM-SECBINFHSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-3-14-12(6-7-18-14)15(20)19-9(2)11-5-4-10(16)8-13(11)17/h4-9,18H,3H2,1-2H3,(H,19,20)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-ethyl-1H-pyrrole-3-carboxamide?
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-ethyl-1H-pyrrole-3-carboxamide has a molecular weight of 278.30 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-ethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 125142754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).