3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide

C14H15N3O2 — CID 110794149

IUPAC3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCc2cc[nH]c2)c1
InChIInChI=1S/C14H15N3O2/c1-10(18)17-13-4-2-3-12(7-13)14(19)16-9-11-5-6-15-8-11/h2-8,15H,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyJGYDVDGYTPOKOI-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.90
Rot. Bonds4

About 3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide

3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide (PubChem CID 110794149) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide
PubChem CID110794149
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCc2cc[nH]c2)c1
InChIInChI=1S/C14H15N3O2/c1-10(18)17-13-4-2-3-12(7-13)14(19)16-9-11-5-6-15-8-11/h2-8,15H,9H2,1H3,(H,16,19)(H,17,18)
InChIKeyJGYDVDGYTPOKOI-UHFFFAOYSA-N
XLogP1.90
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylsulfanylmethyl)-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114182043
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
3-acetamido-N-[(3,4-dimethylphenyl)methyl]benzamide
CID 110793351
3-acetamido-N-ethylbenzamide
CID 17230670
3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110782670
3-acetamido-N-(2,3-dihydro-1H-inden-5-ylmethyl)benzamide
CID 110793524
3-acetamido-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 17403034
N-[(3-acetamidophenyl)methyl]-3-(pyrimidin-2-ylamino)benzamide
CID 39575052
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875
3-acetamido-N-prop-2-ynylbenzamide
CID 30601137
4-N-(3-acetamidophenyl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046750

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide?
The IUPAC name of 3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide (CID 110794149) is 3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide.
What is the SMILES notation for 3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide?
The canonical SMILES for 3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide is CC(=O)Nc1cccc(C(=O)NCc2cc[nH]c2)c1.
What is the InChIKey of 3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide?
The InChIKey is JGYDVDGYTPOKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(18)17-13-4-2-3-12(7-13)14(19)16-9-11-5-6-15-8-11/h2-8,15H,9H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide?
3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide has a molecular weight of 257.29 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1H-pyrrol-3-ylmethyl)benzamide is sourced from PubChem (CID 110794149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).