N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide

C19H19N3O3 — CID 94814781

IUPACN-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide
SMILESC[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C19H19N3O3/c1-14(18(23)20-13-17-5-4-12-25-17)21-19(24)15-6-8-16(9-7-15)22-10-2-3-11-22/h2-12,14H,13H2,1H3,(H,20,23)(H,21,24)/t14-/m1/s1
InChIKeyBLOLUWIUEJGXFE-CQSZACIVSA-N
MW337.38 g/mol
LogP2.51
Rot. Bonds6

About N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide

N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide (PubChem CID 94814781) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide
PubChem CID94814781
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide
SMILESC[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NCc1ccco1
InChIInChI=1S/C19H19N3O3/c1-14(18(23)20-13-17-5-4-12-25-17)21-19(24)15-6-8-16(9-7-15)22-10-2-3-11-22/h2-12,14H,13H2,1H3,(H,20,23)(H,21,24)/t14-/m1/s1
InChIKeyBLOLUWIUEJGXFE-CQSZACIVSA-N
XLogP2.51
TPSA76.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]carbamoyl]phenoxy]benzamide
CID 56548373
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 110348298
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,5-dimethoxybenzamide
CID 110348293
N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide
CID 134045728
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-nitrobenzamide
CID 41143393
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3-hydroxy-2-methylbenzamide
CID 97329400
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 94975757
5-chloro-2-fluoro-N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]benzamide
CID 94811176
N-[(2S)-1-(furan-2-yl)propan-2-yl]-3-pyrrol-1-ylbenzamide
CID 97020373
N-(1-cyano-2-methylpropyl)-4-pyrrol-1-ylbenzamide
CID 82304828
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-pyrrol-1-ylbutanamide
CID 42426854
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide (CID 94814781) is N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide is C[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NCc1ccco1.
What is the InChIKey of N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide?
The InChIKey is BLOLUWIUEJGXFE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-14(18(23)20-13-17-5-4-12-25-17)21-19(24)15-6-8-16(9-7-15)22-10-2-3-11-22/h2-12,14H,13H2,1H3,(H,20,23)(H,21,24)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide?
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide has a molecular weight of 337.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 94814781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).