N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide

C19H23ClN2O — CID 109008221

IUPACN-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide
SMILESCc1c(Cl)cccc1NCC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C19H23ClN2O/c1-13-15(20)9-7-11-16(13)21-12-18(23)22-17-10-6-5-8-14(17)19(2,3)4/h5-11,21H,12H2,1-4H3,(H,22,23)
InChIKeyWJDNHHOYNLCWEJ-UHFFFAOYSA-N
MW330.86 g/mol
LogP5.00
Rot. Bonds4

About N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide

N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide (PubChem CID 109008221) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide
PubChem CID109008221
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide
SMILESCc1c(Cl)cccc1NCC(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C19H23ClN2O/c1-13-15(20)9-7-11-16(13)21-12-18(23)22-17-10-6-5-8-14(17)19(2,3)4/h5-11,21H,12H2,1-4H3,(H,22,23)
InChIKeyWJDNHHOYNLCWEJ-UHFFFAOYSA-N
XLogP5.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-methylanilino)-N-(2-fluorophenyl)acetamide
CID 9099260
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108954677
N-(2-tert-butylphenyl)-2-(2,6-dichlorophenyl)acetamide
CID 7920165
N-(3-chloro-2-methylphenyl)-2-(2,3-dichloroanilino)acetamide
CID 33162844
N-(3-chloro-2-methylphenyl)-2-(2-fluoroanilino)acetamide
CID 2604427
N-(2-tert-butylphenyl)-2-[(2-chlorophenyl)methylamino]acetamide
CID 108997968
2-(3-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 9099221
2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54812884
N-[4-[[2-(3-chloro-2-methylanilino)acetyl]amino]phenyl]propanamide
CID 54815126
N-(3-chloro-2-methylphenyl)-2-(2-ethoxyanilino)acetamide
CID 9101959
2-(2-chloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 9098705

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide (CID 109008221) is N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide is Cc1c(Cl)cccc1NCC(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide?
The InChIKey is WJDNHHOYNLCWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-13-15(20)9-7-11-16(13)21-12-18(23)22-17-10-6-5-8-14(17)19(2,3)4/h5-11,21H,12H2,1-4H3,(H,22,23).
What are the key properties of N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide?
N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide has a molecular weight of 330.86 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(3-chloro-2-methylanilino)acetamide is sourced from PubChem (CID 109008221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).