2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide

C16H20ClN3O — CID 79108893

IUPAC2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide
SMILESCCCC(N)c1ccn(CC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H20ClN3O/c1-2-4-15(18)12-7-8-20(10-12)11-16(21)19-14-6-3-5-13(17)9-14/h3,5-10,15H,2,4,11,18H2,1H3,(H,19,21)
InChIKeyMOZRWXRZTXDHPD-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.58
Rot. Bonds6

About 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide

2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide (PubChem CID 79108893) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide
PubChem CID79108893
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide
SMILESCCCC(N)c1ccn(CC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C16H20ClN3O/c1-2-4-15(18)12-7-8-20(10-12)11-16(21)19-14-6-3-5-13(17)9-14/h3,5-10,15H,2,4,11,18H2,1H3,(H,19,21)
InChIKeyMOZRWXRZTXDHPD-UHFFFAOYSA-N
XLogP3.58
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-[3-(2-methylpropanoyl)pyrrol-1-yl]acetamide
CID 79108257
2-[3-(1-hydroxybutyl)pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 79109983
N-(3-fluorophenyl)-2-[3-(1-hydroxybutyl)pyrrol-1-yl]acetamide
CID 79107758
2-[3-[amino(cyclopropyl)methyl]pyrrol-1-yl]-N-(3-methylphenyl)acetamide
CID 79099731
2-[4-(1-aminopropyl)triazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 106227786
3-(aminomethyl)-N-(3-chlorophenyl)hexanamide
CID 112516422
N-(4-chlorophenyl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]acetamide
CID 79104858
N-(3-fluorophenyl)-2-[3-[1-(methylamino)ethyl]pyrrol-1-yl]acetamide
CID 79099131
2-[2-(3-chloroanilino)-2-oxoethyl]pentanoic acid
CID 112517515
2-[3-(1-aminobutyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 79110021
2-[3-(1-aminopropyl)pyrrol-1-yl]-N-propan-2-ylacetamide
CID 79104950
2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-(3-chlorophenyl)acetamide
CID 103961932

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide (CID 79108893) is 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide is CCCC(N)c1ccn(CC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide?
The InChIKey is MOZRWXRZTXDHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-2-4-15(18)12-7-8-20(10-12)11-16(21)19-14-6-3-5-13(17)9-14/h3,5-10,15H,2,4,11,18H2,1H3,(H,19,21).
What are the key properties of 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide?
2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide has a molecular weight of 305.81 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-aminobutyl)pyrrol-1-yl]-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 79108893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).