2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide

C20H28ClN3O2 — CID 60536841

IUPAC2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CNc1ccc(Cl)cc1C(=O)N1CCCC1
InChIInChI=1S/C20H28ClN3O2/c1-14-6-2-3-7-17(14)23-19(25)13-22-18-9-8-15(21)12-16(18)20(26)24-10-4-5-11-24/h8-9,12,14,17,22H,2-7,10-11,13H2,1H3,(H,23,25)
InChIKeyCDUQOTHAKVJJKZ-UHFFFAOYSA-N
MW377.92 g/mol
LogP3.68
Rot. Bonds5

About 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide

2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide (PubChem CID 60536841) has the molecular formula C20H28ClN3O2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide
PubChem CID60536841
Molecular FormulaC20H28ClN3O2
Molecular Weight377.92 g/mol
Exact Mass377.19
IUPAC Name2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CNc1ccc(Cl)cc1C(=O)N1CCCC1
InChIInChI=1S/C20H28ClN3O2/c1-14-6-2-3-7-17(14)23-19(25)13-22-18-9-8-15(21)12-16(18)20(26)24-10-4-5-11-24/h8-9,12,14,17,22H,2-7,10-11,13H2,1H3,(H,23,25)
InChIKeyCDUQOTHAKVJJKZ-UHFFFAOYSA-N
XLogP3.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 55897278
[5-chloro-2-(ethylamino)phenyl]-piperidin-1-ylmethanone
CID 62165220
2-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]-5-piperidin-1-ylbenzamide
CID 86916369
2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 55898307
azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone
CID 62173337
[5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 62171256
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 2602823
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-methylcyclohexyl)acetamide
CID 46797821
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
CID 62248828
2-(3-bromo-5-chloro-2-methoxyanilino)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 30645340
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 46794784
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8635099

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide (CID 60536841) is 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CNc1ccc(Cl)cc1C(=O)N1CCCC1.
What is the InChIKey of 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide?
The InChIKey is CDUQOTHAKVJJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O2/c1-14-6-2-3-7-17(14)23-19(25)13-22-18-9-8-15(21)12-16(18)20(26)24-10-4-5-11-24/h8-9,12,14,17,22H,2-7,10-11,13H2,1H3,(H,23,25).
What are the key properties of 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide?
2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide has a molecular weight of 377.92 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 60536841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).