N-(4-tert-butylphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide

C23H28ClN3O2 — CID 55766563

IUPACN-(4-tert-butylphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CNc2cc(Cl)ccc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H28ClN3O2/c1-23(2,3)16-6-9-18(10-7-16)26-21(28)15-25-20-14-17(24)8-11-19(20)22(29)27-12-4-5-13-27/h6-11,14,25H,4-5,12-13,15H2,1-3H3,(H,26,28)
InChIKeyVIGLHKFACREGRN-UHFFFAOYSA-N
MW413.95 g/mol
LogP4.92
Rot. Bonds5

About N-(4-tert-butylphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide

N-(4-tert-butylphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide (PubChem CID 55766563) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide
PubChem CID55766563
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC NameN-(4-tert-butylphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide
SMILESCC(C)(C)c1ccc(NC(=O)CNc2cc(Cl)ccc2C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H28ClN3O2/c1-23(2,3)16-6-9-18(10-7-16)26-21(28)15-25-20-14-17(24)8-11-19(20)22(29)27-12-4-5-13-27/h6-11,14,25H,4-5,12-13,15H2,1-3H3,(H,26,28)
InChIKeyVIGLHKFACREGRN-UHFFFAOYSA-N
XLogP4.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-(4-propan-2-ylphenyl)acetamide
CID 55898218
4-[[2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]-N,N-diethylbenzamide
CID 55896896
N-(3-chloro-4-methoxyphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 60536287
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-(2,3-dichlorophenyl)acetamide
CID 55896895
2-[5-chloro-2-(piperidine-1-carbonyl)anilino]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 60537314
2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 60536259
2-(4-chloroanilino)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54810281
N-(5-chloro-2-methylphenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841442
2-(2,5-dichloroanilino)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54819586
2-(4-chlorophenyl)sulfanyl-N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 112760310
N-(2,5-dichlorophenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841411
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 119283029

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide (CID 55766563) is N-(4-tert-butylphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide is CC(C)(C)c1ccc(NC(=O)CNc2cc(Cl)ccc2C(=O)N2CCCC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide?
The InChIKey is VIGLHKFACREGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-23(2,3)16-6-9-18(10-7-16)26-21(28)15-25-20-14-17(24)8-11-19(20)22(29)27-12-4-5-13-27/h6-11,14,25H,4-5,12-13,15H2,1-3H3,(H,26,28).
What are the key properties of N-(4-tert-butylphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide?
N-(4-tert-butylphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide has a molecular weight of 413.95 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-[5-chloro-2-(pyrrolidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 55766563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).