3-(3-chloro-4-methylphenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide

C22H25ClN2O2 — CID 43043546

IUPAC3-(3-chloro-4-methylphenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1Cl
InChIInChI=1S/C22H25ClN2O2/c1-16-4-5-17(14-20(16)23)8-11-21(26)24-15-18-6-9-19(10-7-18)22(27)25-12-2-3-13-25/h4-7,9-10,14H,2-3,8,11-13,15H2,1H3,(H,24,26)
InChIKeyPOXFOSVJYNSXBU-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.13
Rot. Bonds6

About 3-(3-chloro-4-methylphenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide

3-(3-chloro-4-methylphenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide (PubChem CID 43043546) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
PubChem CID43043546
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name3-(3-chloro-4-methylphenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1Cl
InChIInChI=1S/C22H25ClN2O2/c1-16-4-5-17(14-20(16)23)8-11-21(26)24-15-18-6-9-19(10-7-18)22(27)25-12-2-3-13-25/h4-7,9-10,14H,2-3,8,11-13,15H2,1H3,(H,24,26)
InChIKeyPOXFOSVJYNSXBU-UHFFFAOYSA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methylpyrazol-4-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 51087989
(3-chloro-4-methylphenyl)-pyrrolidin-1-ylmethanone
CID 1121352
3-(3-chloro-4-methylphenyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 46470652
3-(3-chloro-4-methylphenyl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]propanamide
CID 32770995
2-(4-acetylpiperazin-1-yl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 32808855
2-[(4-chlorophenyl)methyl-methylamino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 38180894
3-phenoxy-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 32854703
2-(3-methoxy-4-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]acetamide
CID 55709108
1-[2-(3-chlorophenyl)ethyl]-2-methyl-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 111358083
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 60536259
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine
CID 111844565

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide (CID 43043546) is 3-(3-chloro-4-methylphenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide is Cc1ccc(CCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
The InChIKey is POXFOSVJYNSXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-16-4-5-17(14-20(16)23)8-11-21(26)24-15-18-6-9-19(10-7-18)22(27)25-12-2-3-13-25/h4-7,9-10,14H,2-3,8,11-13,15H2,1H3,(H,24,26).
What are the key properties of 3-(3-chloro-4-methylphenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide?
3-(3-chloro-4-methylphenyl)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide has a molecular weight of 384.91 g/mol, XLogP of 4.13, 6 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-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide is sourced from PubChem (CID 43043546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).