N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide

C19H25ClN2O — CID 3288101

IUPACN-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide
SMILESCCCCCN(Cc1cccn1Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C19H25ClN2O/c1-2-3-7-12-22(19(23)14-20)16-18-11-8-13-21(18)15-17-9-5-4-6-10-17/h4-6,8-11,13H,2-3,7,12,14-16H2,1H3
InChIKeyMZSNCDPTMXXZKN-UHFFFAOYSA-N
MW332.88 g/mol
LogP4.29
Rot. Bonds9

About N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide

N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide (PubChem CID 3288101) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide
PubChem CID3288101
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC NameN-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide
SMILESCCCCCN(Cc1cccn1Cc1ccccc1)C(=O)CCl
InChIInChI=1S/C19H25ClN2O/c1-2-3-7-12-22(19(23)14-20)16-18-11-8-13-21(18)15-17-9-5-4-6-10-17/h4-6,8-11,13H,2-3,7,12,14-16H2,1H3
InChIKeyMZSNCDPTMXXZKN-UHFFFAOYSA-N
XLogP4.29
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-benzylpyrrol-2-yl)methyl]-2-methoxy-N-pentylacetamide
CID 4574832
N-[(1-benzylpyrrol-2-yl)methyl]-N-propylhexanamide
CID 4542851
N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-phenylpropanamide
CID 3680724
N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3,3-dimethylbutanamide
CID 42763070
N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-methylbutanamide
CID 42763071
N-[(1-benzylpyrrol-2-yl)methyl]-N-propylbutanamide
CID 42764431
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-3-phenylpropanamide
CID 5027042
N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-2,2-dimethylpropanamide
CID 3651106
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-2-phenylacetamide
CID 42764328
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-3-phenylpropanamide
CID 5145929
1-[(1-benzylpyrrol-2-yl)methyl]-3-(2-ethoxyphenyl)-1-pentylurea
CID 3652209
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-pentyl-2-phenylmethoxyacetamide
CID 3977868

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide?
The IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide (CID 3288101) is N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide.
What is the SMILES notation for N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide?
The canonical SMILES for N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide is CCCCCN(Cc1cccn1Cc1ccccc1)C(=O)CCl.
What is the InChIKey of N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide?
The InChIKey is MZSNCDPTMXXZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O/c1-2-3-7-12-22(19(23)14-20)16-18-11-8-13-21(18)15-17-9-5-4-6-10-17/h4-6,8-11,13H,2-3,7,12,14-16H2,1H3.
What are the key properties of N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide?
N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide has a molecular weight of 332.88 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-pentylacetamide is sourced from PubChem (CID 3288101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).