N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide

C22H25ClN2O2 — CID 55777037

IUPACN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)c(C)c1
InChIInChI=1S/C22H25ClN2O2/c1-15-5-6-17(16(2)13-15)7-10-21(26)24-20-14-18(23)8-9-19(20)22(27)25-11-3-4-12-25/h5-6,8-9,13-14H,3-4,7,10-12H2,1-2H3,(H,24,26)
InChIKeyJJUNOXGYGFZJQZ-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.76
Rot. Bonds5

About N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide

N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide (PubChem CID 55777037) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide
PubChem CID55777037
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC NameN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(CCC(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)c(C)c1
InChIInChI=1S/C22H25ClN2O2/c1-15-5-6-17(16(2)13-15)7-10-21(26)24-20-14-18(23)8-9-19(20)22(27)25-11-3-4-12-25/h5-6,8-9,13-14H,3-4,7,10-12H2,1-2H3,(H,24,26)
InChIKeyJJUNOXGYGFZJQZ-UHFFFAOYSA-N
XLogP4.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 60610174
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 55727828
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 119283029
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283028
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 55873986
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 55777121
2-(4-chlorophenyl)sulfanyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 112760310
2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 60537314
3-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 17179010
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
[4-chloro-2-[(3-methylphenyl)methylamino]phenyl]-piperidin-1-ylmethanone
CID 52703546
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,3-dichlorophenyl)acetamide
CID 55896895

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide?
The IUPAC name of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide (CID 55777037) is N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide is Cc1ccc(CCC(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)c(C)c1.
What is the InChIKey of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide?
The InChIKey is JJUNOXGYGFZJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-15-5-6-17(16(2)13-15)7-10-21(26)24-20-14-18(23)8-9-19(20)22(27)25-11-3-4-12-25/h5-6,8-9,13-14H,3-4,7,10-12H2,1-2H3,(H,24,26).
What are the key properties of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide?
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide has a molecular weight of 384.91 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 55777037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).