2-[2-(aminomethyl)pyrrol-1-yl]-N-(2-chlorophenyl)acetamide

C13H14ClN3O — CID 66408399

IUPAC2-[2-(aminomethyl)pyrrol-1-yl]-N-(2-chlorophenyl)acetamide
SMILESNCc1cccn1CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H14ClN3O/c14-11-5-1-2-6-12(11)16-13(18)9-17-7-3-4-10(17)8-15/h1-7H,8-9,15H2,(H,16,18)
InChIKeyYZULPRWSMMRVHK-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.24
Rot. Bonds4

About 2-[2-(aminomethyl)pyrrol-1-yl]-N-(2-chlorophenyl)acetamide

2-[2-(aminomethyl)pyrrol-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 66408399) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 2-[2-(aminomethyl)pyrrol-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)pyrrol-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID66408399
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name2-[2-(aminomethyl)pyrrol-1-yl]-N-(2-chlorophenyl)acetamide
SMILESNCc1cccn1CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C13H14ClN3O/c14-11-5-1-2-6-12(11)16-13(18)9-17-7-3-4-10(17)8-15/h1-7H,8-9,15H2,(H,16,18)
InChIKeyYZULPRWSMMRVHK-UHFFFAOYSA-N
XLogP2.24
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
2-amino-N-(2-chlorophenyl)acetamide;hydrochloride
CID 51051964
N-(2-chlorophenyl)-2-[2-[1-(ethylamino)ethyl]pyrrol-1-yl]acetamide
CID 79108513
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(2-chlorophenyl)acetamide
CID 27448932
N-(2-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 17034752
N-(2-chlorophenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 2498952
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide
CID 82182296
1-[(1-benzylpyrrol-2-yl)methyl]-3-(2-chlorophenyl)urea
CID 20950996

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)pyrrol-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)pyrrol-1-yl]-N-(2-chlorophenyl)acetamide (CID 66408399) is 2-[2-(aminomethyl)pyrrol-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)pyrrol-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)pyrrol-1-yl]-N-(2-chlorophenyl)acetamide is NCc1cccn1CC(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[2-(aminomethyl)pyrrol-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is YZULPRWSMMRVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-11-5-1-2-6-12(11)16-13(18)9-17-7-3-4-10(17)8-15/h1-7H,8-9,15H2,(H,16,18).
What are the key properties of 2-[2-(aminomethyl)pyrrol-1-yl]-N-(2-chlorophenyl)acetamide?
2-[2-(aminomethyl)pyrrol-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 263.73 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)pyrrol-1-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 66408399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).