N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide

C14H15N3O2 — CID 134045728

IUPACN-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide
SMILESCC(NC(=O)c1ccc(-n2cccc2)cc1)C(N)=O
InChIInChI=1S/C14H15N3O2/c1-10(13(15)18)16-14(19)11-4-6-12(7-5-11)17-8-2-3-9-17/h2-10H,1H3,(H2,15,18)(H,16,19)
InChIKeyCRPZLJQOSSUGLO-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.08
Rot. Bonds4

About N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide

N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide (PubChem CID 134045728) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide
PubChem CID134045728
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide
SMILESCC(NC(=O)c1ccc(-n2cccc2)cc1)C(N)=O
InChIInChI=1S/C14H15N3O2/c1-10(13(15)18)16-14(19)11-4-6-12(7-5-11)17-8-2-3-9-17/h2-10H,1H3,(H2,15,18)(H,16,19)
InChIKeyCRPZLJQOSSUGLO-UHFFFAOYSA-N
XLogP1.08
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyano-2-methylpropyl)-4-pyrrol-1-ylbenzamide
CID 82304828
N-[(2S)-1-amino-1-oxopropan-2-yl]benzamide
CID 12859609
N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 55577942
N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide
CID 18161077
N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-4-pyrrol-1-ylbenzamide
CID 94814781
N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide
CID 134045614
N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide
CID 141018684
N-(3-hydroxy-2-methylbutan-2-yl)-4-pyrrol-1-ylbenzamide
CID 115884453
N-tert-butyl-4-pyrrol-1-ylbenzamide
CID 51261804
(2R)-2-[(3-pyrrol-1-ylbenzoyl)amino]propanoic acid
CID 54991443
N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide
CID 55964825
methyl 4-methylsulfanyl-2-[(4-pyrrol-1-ylbenzoyl)amino]butanoate
CID 74509719

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide (CID 134045728) is N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide is CC(NC(=O)c1ccc(-n2cccc2)cc1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide?
The InChIKey is CRPZLJQOSSUGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(13(15)18)16-14(19)11-4-6-12(7-5-11)17-8-2-3-9-17/h2-10H,1H3,(H2,15,18)(H,16,19).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide?
N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide has a molecular weight of 257.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 134045728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).