N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide

C18H18N2O2 — CID 97020373

IUPACN-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide
SMILESC[C@@H](Cc1ccco1)NC(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C18H18N2O2/c1-14(12-17-8-5-11-22-17)19-18(21)15-6-4-7-16(13-15)20-9-2-3-10-20/h2-11,13-14H,12H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyUIORIMFYNCTRBI-AWEZNQCLSA-N
MW294.35 g/mol
LogP3.43
Rot. Bonds5

About N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide

N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide (PubChem CID 97020373) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide
PubChem CID97020373
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide
SMILESC[C@@H](Cc1ccco1)NC(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C18H18N2O2/c1-14(12-17-8-5-11-22-17)19-18(21)15-6-4-7-16(13-15)20-9-2-3-10-20/h2-11,13-14H,12H2,1H3,(H,19,21)/t14-/m0/s1
InChIKeyUIORIMFYNCTRBI-AWEZNQCLSA-N
XLogP3.43
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
N-[1-(furan-2-yl)propan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55614572
N-[1-(furan-2-yl)propan-2-yl]-4-iodobenzamide
CID 47168762
(2R)-2-[(3-pyrrol-1-ylbenzoyl)amino]propanoic acid
CID 54991443
N-[1-(furan-2-yl)propan-2-yl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 46287273
3-amino-N-[4-(furan-2-yl)butan-2-yl]benzamide
CID 61249559
4-(bromomethyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 113241873
4-carbamothioyl-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61470814
N-[1-(furan-2-yl)propan-2-yl]-4-(trifluoromethyl)benzamide
CID 4253008
(2R)-3-methyl-2-[(3-pyrrol-1-ylbenzoyl)amino]butanoic acid
CID 79009327
3-amino-4-ethoxy-N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 61126328
3-methyl-2-[(3-pyrrol-1-ylbenzoyl)amino]pentanoic acid
CID 119212163

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide (CID 97020373) is N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide is C[C@@H](Cc1ccco1)NC(=O)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide?
The InChIKey is UIORIMFYNCTRBI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14(12-17-8-5-11-22-17)19-18(21)15-6-4-7-16(13-15)20-9-2-3-10-20/h2-11,13-14H,12H2,1H3,(H,19,21)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide?
N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide has a molecular weight of 294.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 97020373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).