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

C14H19ClN2O — CID 110859269

IUPACN-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
SMILESCc1ccc(NC(=O)CC2CCN(C)C2)cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10-3-4-12(8-13(10)15)16-14(18)7-11-5-6-17(2)9-11/h3-4,8,11H,5-7,9H2,1-2H3,(H,16,18)
InChIKeyGRJMGQVVHWGCGO-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.93
Rot. Bonds3

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

N-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide (PubChem CID 110859269) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
PubChem CID110859269
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
SMILESCc1ccc(NC(=O)CC2CCN(C)C2)cc1Cl
InChIInChI=1S/C14H19ClN2O/c1-10-3-4-12(8-13(10)15)16-14(18)7-11-5-6-17(2)9-11/h3-4,8,11H,5-7,9H2,1-2H3,(H,16,18)
InChIKeyGRJMGQVVHWGCGO-UHFFFAOYSA-N
XLogP2.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859260
N-(4-acetamidophenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110861482
N-(3-chloro-4-methylphenyl)-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7222844
N-(3-bromo-4-methylphenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110859779
(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
CID 99773447
N-(2,4-dimethylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide
CID 110857203
N-(5-chloro-2-methylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969556
N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9068457
2-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61371894
N-(4-bromophenyl)-2-(1-methylpiperidin-3-yl)acetamide
CID 110859696
N-(3-chloro-4-methylphenyl)-4-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 3655921
2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113158419

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide (CID 110859269) is N-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide is Cc1ccc(NC(=O)CC2CCN(C)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide?
The InChIKey is GRJMGQVVHWGCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-10-3-4-12(8-13(10)15)16-14(18)7-11-5-6-17(2)9-11/h3-4,8,11H,5-7,9H2,1-2H3,(H,16,18).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide?
N-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide has a molecular weight of 266.77 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(1-methylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 110859269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).