2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide

C12H14Cl2N2O — CID 94418866

IUPAC2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O/c13-9-4-3-8(6-10(9)14)11-2-1-5-16(11)7-12(15)17/h3-4,6,11H,1-2,5,7H2,(H2,15,17)/t11-/m0/s1
InChIKeyFYHJNAXBTWJNBR-NSHDSACASA-N
MW273.16 g/mol
LogP2.62
Rot. Bonds3

About 2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide

2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide (PubChem CID 94418866) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
PubChem CID94418866
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
SMILESNC(=O)CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H14Cl2N2O/c13-9-4-3-8(6-10(9)14)11-2-1-5-16(11)7-12(15)17/h3-4,6,11H,1-2,5,7H2,(H2,15,17)/t11-/m0/s1
InChIKeyFYHJNAXBTWJNBR-NSHDSACASA-N
XLogP2.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119288449
3-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62230261
N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
CID 55839490
N-(2-cyano-3-methylbutan-2-yl)-2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
CID 55828776
4-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 60948472
2-(3,4-dichlorophenyl)pyrrolidine-1-sulfonamide
CID 71889820
2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide
CID 94819890
4-[2-(3,4-dichlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674061
2-(3,4-dichlorophenyl)-1-ethylsulfonylpyrrolidine
CID 61356195
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(propan-2-ylamino)ethanone
CID 60963178
2-(cyclopropylmethylamino)-1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]ethanone
CID 60963537
tert-butyl 2-(3,4-dichlorophenyl)pyrrolidine-1-carboxylate
CID 65142557

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide (CID 94418866) is 2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide is NC(=O)CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide?
The InChIKey is FYHJNAXBTWJNBR-NSHDSACASA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c13-9-4-3-8(6-10(9)14)11-2-1-5-16(11)7-12(15)17/h3-4,6,11H,1-2,5,7H2,(H2,15,17)/t11-/m0/s1.
What are the key properties of 2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide?
2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide has a molecular weight of 273.16 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 94418866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).