(2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N,N-dimethyl-2,5-dihydropyrrole-1-carboxamide

C19H18F2N2O2 — CID 15949839

IUPAC(2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N,N-dimethyl-2,5-dihydropyrrole-1-carboxamide
SMILESCN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1
InChIInChI=1S/C19H18F2N2O2/c1-22(2)19(25)23-11-13(16-10-14(20)6-7-17(16)21)9-18(23)12-4-3-5-15(24)8-12/h3-10,18,24H,11H2,1-2H3/t18-/m0/s1
InChIKeyKFCPOTABOSFYOA-SFHVURJKSA-N
MW344.36 g/mol
LogP3.79
Rot. Bonds2

About (2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N,N-dimethyl-2,5-dihydropyrrole-1-carboxamide

(2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N,N-dimethyl-2,5-dihydropyrrole-1-carboxamide (PubChem CID 15949839) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is (2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N,N-dimethyl-2,5-dihydropyrrole-1-carboxamide.

Molecular Properties

Compound Name(2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N,N-dimethyl-2,5-dihydropyrrole-1-carboxamide
PubChem CID15949839
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name(2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N,N-dimethyl-2,5-dihydropyrrole-1-carboxamide
SMILESCN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1
InChIInChI=1S/C19H18F2N2O2/c1-22(2)19(25)23-11-13(16-10-14(20)6-7-17(16)21)9-18(23)12-4-3-5-15(24)8-12/h3-10,18,24H,11H2,1-2H3/t18-/m0/s1
InChIKeyKFCPOTABOSFYOA-SFHVURJKSA-N
XLogP3.79
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N,N-dimethyl-2,5-dihydropyrrole-1-carboxamide?
The IUPAC name of (2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N,N-dimethyl-2,5-dihydropyrrole-1-carboxamide (CID 15949839) is (2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N,N-dimethyl-2,5-dihydropyrrole-1-carboxamide.
What is the SMILES notation for (2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N,N-dimethyl-2,5-dihydropyrrole-1-carboxamide?
The canonical SMILES for (2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N,N-dimethyl-2,5-dihydropyrrole-1-carboxamide is CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1.
What is the InChIKey of (2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N,N-dimethyl-2,5-dihydropyrrole-1-carboxamide?
The InChIKey is KFCPOTABOSFYOA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c1-22(2)19(25)23-11-13(16-10-14(20)6-7-17(16)21)9-18(23)12-4-3-5-15(24)8-12/h3-10,18,24H,11H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N,N-dimethyl-2,5-dihydropyrrole-1-carboxamide?
(2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N,N-dimethyl-2,5-dihydropyrrole-1-carboxamide has a molecular weight of 344.36 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-N,N-dimethyl-2,5-dihydropyrrole-1-carboxamide is sourced from PubChem (CID 15949839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).