2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide

C13H16Cl2N2O — CID 63045287

IUPAC2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCC1CCCN1
InChIInChI=1S/C13H16Cl2N2O/c14-11-4-3-9(6-12(11)15)7-13(18)17-8-10-2-1-5-16-10/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18)
InChIKeyPOWLNJZUAHVCNZ-UHFFFAOYSA-N
MW287.19 g/mol
LogP2.40
Rot. Bonds4

About 2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide

2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 63045287) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID63045287
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCC1CCCN1
InChIInChI=1S/C13H16Cl2N2O/c14-11-4-3-9(6-12(11)15)7-13(18)17-8-10-2-1-5-16-10/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18)
InChIKeyPOWLNJZUAHVCNZ-UHFFFAOYSA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea;formic acid
CID 154908582
2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509719
2-(2,3-dihydro-1H-inden-5-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510465
2-(4-iodophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]acetamide
CID 67166754
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540928
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329577
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509889
2-[3-[(4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511583
2-(4-nitrophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 55084672
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527
3,4-dichloro-N-(pyrrolidin-2-ylmethyl)aniline;oxalic acid
CID 17389918
3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide
CID 107990193

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide (CID 63045287) is 2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)NCC1CCCN1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is POWLNJZUAHVCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c14-11-4-3-9(6-12(11)15)7-13(18)17-8-10-2-1-5-16-10/h3-4,6,10,16H,1-2,5,7-8H2,(H,17,18).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide?
2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 287.19 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 63045287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).