3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide

C17H21ClN2O — CID 32770995

IUPAC3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2ccc(C)n2C)cc1Cl
InChIInChI=1S/C17H21ClN2O/c1-12-4-6-14(10-16(12)18)7-9-17(21)19-11-15-8-5-13(2)20(15)3/h4-6,8,10H,7,9,11H2,1-3H3,(H,19,21)
InChIKeyXWZXSOYAWQALOW-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.54
Rot. Bonds5

About 3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide

3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide (PubChem CID 32770995) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide
PubChem CID32770995
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2ccc(C)n2C)cc1Cl
InChIInChI=1S/C17H21ClN2O/c1-12-4-6-14(10-16(12)18)7-9-17(21)19-11-15-8-5-13(2)20(15)3/h4-6,8,10H,7,9,11H2,1-3H3,(H,19,21)
InChIKeyXWZXSOYAWQALOW-UHFFFAOYSA-N
XLogP3.54
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methylphenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 43043546
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(ethylamino)propanamide
CID 62832866
N-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide
CID 113227506
N-[(1,5-dimethylpyrrol-2-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 71878303
3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46679807
3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-hydroxypropanamide
CID 106166158
3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide
CID 103843609
3-(3-chloro-4-methylphenyl)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 18140580
3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 46679754
3-(3-chloro-4-methylphenyl)-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 79027775
3-(3-chloro-4-methylphenyl)-N-(1-hydroxypropan-2-yl)propanamide
CID 43418633
3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 46470652

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide (CID 32770995) is 3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide is Cc1ccc(CCC(=O)NCc2ccc(C)n2C)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide?
The InChIKey is XWZXSOYAWQALOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-12-4-6-14(10-16(12)18)7-9-17(21)19-11-15-8-5-13(2)20(15)3/h4-6,8,10H,7,9,11H2,1-3H3,(H,19,21).
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide?
3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide has a molecular weight of 304.82 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide is sourced from PubChem (CID 32770995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).