N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide

C14H19ClN2O2 — CID 103728446

IUPACN-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCC(C)(O)C1
InChIInChI=1S/C14H19ClN2O2/c1-10-7-11(15)3-4-12(10)16-13(18)8-17-6-5-14(2,19)9-17/h3-4,7,19H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyIHGOCLAUXZWTNT-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.04
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide

N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide (PubChem CID 103728446) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
PubChem CID103728446
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN1CCC(C)(O)C1
InChIInChI=1S/C14H19ClN2O2/c1-10-7-11(15)3-4-12(10)16-13(18)8-17-6-5-14(2,19)9-17/h3-4,7,19H,5-6,8-9H2,1-2H3,(H,16,18)
InChIKeyIHGOCLAUXZWTNT-UHFFFAOYSA-N
XLogP2.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147604
N-(3,4-difluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728541
N-(5-amino-2-chlorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103355475
N-(2,4-dibromophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728546
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 103728385
N-[(4-chlorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728803
4-chloro-N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]benzamide
CID 103358091
N-(4-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperazin-1-yl]acetamide
CID 104976877
1-[2-(4-chloro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908238
3-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324469
N-(4-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 8704214
N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8005862

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide (CID 103728446) is N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide is Cc1cc(Cl)ccc1NC(=O)CN1CCC(C)(O)C1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
The InChIKey is IHGOCLAUXZWTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10-7-11(15)3-4-12(10)16-13(18)8-17-6-5-14(2,19)9-17/h3-4,7,19H,5-6,8-9H2,1-2H3,(H,16,18).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide?
N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide has a molecular weight of 282.77 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 103728446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).