2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide

C13H13ClN2O — CID 110782736

IUPAC2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCc1cc[nH]c1
InChIInChI=1S/C13H13ClN2O/c14-12-3-1-2-10(6-12)7-13(17)16-9-11-4-5-15-8-11/h1-6,8,15H,7,9H2,(H,16,17)
InChIKeyVEDBVVHKQOCVBB-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.53
Rot. Bonds4

About 2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide

2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide (PubChem CID 110782736) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide
PubChem CID110782736
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)NCc1cc[nH]c1
InChIInChI=1S/C13H13ClN2O/c14-12-3-1-2-10(6-12)7-13(17)16-9-11-4-5-15-8-11/h1-6,8,15H,7,9H2,(H,16,17)
InChIKeyVEDBVVHKQOCVBB-UHFFFAOYSA-N
XLogP2.53
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385880
N-[(3-methylphenyl)methyl]-2-(1H-pyrrol-3-yl)acetamide
CID 110769107
N-[(4-aminophenyl)methyl]-2-(3-chlorophenyl)acetamide
CID 62503389
2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62503408
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
4-chloro-2-methyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385485
N-[(3-chlorophenyl)methyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide
CID 51044918
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
N-[(3-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 710725
N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267
3-bromo-N-[(3-chlorophenyl)methyl]propanamide
CID 82109966
2-(1-benzothiophen-3-yl)-N-[(3-chlorophenyl)methyl]acetamide
CID 4119329

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide (CID 110782736) is 2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide is O=C(Cc1cccc(Cl)c1)NCc1cc[nH]c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide?
The InChIKey is VEDBVVHKQOCVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-12-3-1-2-10(6-12)7-13(17)16-9-11-4-5-15-8-11/h1-6,8,15H,7,9H2,(H,16,17).
What are the key properties of 2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide?
2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide has a molecular weight of 248.71 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(1H-pyrrol-3-ylmethyl)acetamide is sourced from PubChem (CID 110782736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).