3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide

C20H22Cl2N2O — CID 46453922

IUPAC3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1Cl)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H22Cl2N2O/c21-18-8-4-5-16(20(18)22)9-10-19(25)23-13-15-11-12-24(14-15)17-6-2-1-3-7-17/h1-8,15H,9-14H2,(H,23,25)
InChIKeyLKEZCCSQTMTUQH-UHFFFAOYSA-N
MW377.32 g/mol
LogP4.57
Rot. Bonds6

About 3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide

3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 46453922) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
PubChem CID46453922
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC Name3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
SMILESO=C(CCc1cccc(Cl)c1Cl)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H22Cl2N2O/c21-18-8-4-5-16(20(18)22)9-10-19(25)23-13-15-11-12-24(14-15)17-6-2-1-3-7-17/h1-8,15H,9-14H2,(H,23,25)
InChIKeyLKEZCCSQTMTUQH-UHFFFAOYSA-N
XLogP4.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 70725512
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
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2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
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CID 56526680
4-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide
CID 110640326
2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide (CID 46453922) is 3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide is O=C(CCc1cccc(Cl)c1Cl)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is LKEZCCSQTMTUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c21-18-8-4-5-16(20(18)22)9-10-19(25)23-13-15-11-12-24(14-15)17-6-2-1-3-7-17/h1-8,15H,9-14H2,(H,23,25).
What are the key properties of 3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 377.32 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 46453922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).