(3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide

C21H21FN2O3 — CID 92709355

IUPAC(3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc(NC(=O)C[C@@H](c2cccc(F)c2)n2cccc2)c(OC)c1
InChIInChI=1S/C21H21FN2O3/c1-26-17-8-9-18(20(13-17)27-2)23-21(25)14-19(24-10-3-4-11-24)15-6-5-7-16(22)12-15/h3-13,19H,14H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyNLEXSWCKJYCLPS-IBGZPJMESA-N
MW368.41 g/mol
LogP4.26
Rot. Bonds7

About (3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide

(3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 92709355) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is (3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
PubChem CID92709355
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name(3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
SMILESCOc1ccc(NC(=O)C[C@@H](c2cccc(F)c2)n2cccc2)c(OC)c1
InChIInChI=1S/C21H21FN2O3/c1-26-17-8-9-18(20(13-17)27-2)23-21(25)14-19(24-10-3-4-11-24)15-6-5-7-16(22)12-15/h3-13,19H,14H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyNLEXSWCKJYCLPS-IBGZPJMESA-N
XLogP4.26
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709504
N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342767
3-(3-fluorophenyl)-3-pyrrol-1-yl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 46342782
(3R)-N-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709163
(3R)-N-(2,4-dimethoxyphenyl)-3-pyrrol-1-yl-3-thiophen-2-ylpropanamide
CID 92708850
(3S)-3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 92709429
(3R)-N-(5-chloro-2-methoxyphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709595
(3S)-N-(4-ethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709401
N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46343061
(3S)-N-(3-fluoro-4-methylphenyl)-3-(3-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709594
(3S)-N-(2,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-3-phenylpropanamide
CID 1309526
(3S)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709616

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide (CID 92709355) is (3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide is COc1ccc(NC(=O)C[C@@H](c2cccc(F)c2)n2cccc2)c(OC)c1.
What is the InChIKey of (3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is NLEXSWCKJYCLPS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-26-17-8-9-18(20(13-17)27-2)23-21(25)14-19(24-10-3-4-11-24)15-6-5-7-16(22)12-15/h3-13,19H,14H2,1-2H3,(H,23,25)/t19-/m0/s1.
What are the key properties of (3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide?
(3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 368.41 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92709355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).