N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide

C20H21ClN2O2 — CID 55727828

IUPACN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(Cl)ccc1C(=O)N1CCCC1
InChIInChI=1S/C20H21ClN2O2/c21-16-9-10-17(20(25)23-12-4-5-13-23)18(14-16)22-19(24)11-8-15-6-2-1-3-7-15/h1-3,6-7,9-10,14H,4-5,8,11-13H2,(H,22,24)
InChIKeyYFSHQMVGHXVOMQ-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.15
Rot. Bonds5

About N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide

N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide (PubChem CID 55727828) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide
PubChem CID55727828
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(Cl)ccc1C(=O)N1CCCC1
InChIInChI=1S/C20H21ClN2O2/c21-16-9-10-17(20(25)23-12-4-5-13-23)18(14-16)22-19(24)11-8-15-6-2-1-3-7-15/h1-3,6-7,9-10,14H,4-5,8,11-13H2,(H,22,24)
InChIKeyYFSHQMVGHXVOMQ-UHFFFAOYSA-N
XLogP4.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(2,4-dimethylphenyl)propanamide
CID 55777037
2-(4-chlorophenyl)sulfanyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 112760310
3-(4-ethylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 41467944
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 55777121
3-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 17179010
3-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]propanamide
CID 1059306
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364942
4-chloro-2-[(2-phenylacetyl)amino]benzoic acid
CID 3880553
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-phenylpropanamide?
The IUPAC name of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide (CID 55727828) is N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cc(Cl)ccc1C(=O)N1CCCC1.
What is the InChIKey of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide?
The InChIKey is YFSHQMVGHXVOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c21-16-9-10-17(20(25)23-12-4-5-13-23)18(14-16)22-19(24)11-8-15-6-2-1-3-7-15/h1-3,6-7,9-10,14H,4-5,8,11-13H2,(H,22,24).
What are the key properties of N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide?
N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-phenylpropanamide has a molecular weight of 356.85 g/mol, XLogP of 4.15, 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-phenylpropanamide is sourced from PubChem (CID 55727828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).