3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide

C10H15ClN2O — CID 115162696

IUPAC3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
SMILESCN(CCc1ccc[nH]1)C(=O)CCCl
InChIInChI=1S/C10H15ClN2O/c1-13(10(14)4-6-11)8-5-9-3-2-7-12-9/h2-3,7,12H,4-6,8H2,1H3
InChIKeyKOBBHAGFJNJACH-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.64
Rot. Bonds5

About 3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide

3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide (PubChem CID 115162696) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
PubChem CID115162696
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
SMILESCN(CCc1ccc[nH]1)C(=O)CCCl
InChIInChI=1S/C10H15ClN2O/c1-13(10(14)4-6-11)8-5-9-3-2-7-12-9/h2-3,7,12H,4-6,8H2,1H3
InChIKeyKOBBHAGFJNJACH-UHFFFAOYSA-N
XLogP1.64
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115153081
4-amino-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pentanamide
CID 115156814
4-amino-N,3-dimethyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide
CID 115156483
2-(hydroxymethyl)-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]butanamide
CID 115186753
3-amino-4-[methyl-[2-(1H-pyrrol-2-yl)ethyl]amino]-4-oxobutanoic acid
CID 115181349
N-methyl-2-morpholin-3-yl-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
CID 115178159
3-chloro-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide
CID 115162633
2-[carboxymethyl-[2-(1H-pyrrol-2-yl)ethyl]amino]acetic acid
CID 67686258
3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
CID 115162712
2,2,2-trifluoro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]ethanamine
CID 115258110
methyl-[2-(1H-pyrrol-2-yl)ethyl]cyanamide
CID 117043502
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide?
The IUPAC name of 3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide (CID 115162696) is 3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide is CN(CCc1ccc[nH]1)C(=O)CCCl.
What is the InChIKey of 3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide?
The InChIKey is KOBBHAGFJNJACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-13(10(14)4-6-11)8-5-9-3-2-7-12-9/h2-3,7,12H,4-6,8H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide?
3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide has a molecular weight of 214.70 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]propanamide is sourced from PubChem (CID 115162696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).