N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide

C19H23ClN2O — CID 68695951

IUPACN-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide
SMILESCC(C)(C)c1ccc(CNC(=O)CNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O/c1-19(2,3)15-6-4-14(5-7-15)12-22-18(23)13-21-17-10-8-16(20)9-11-17/h4-11,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyXRSDMOARGQTUNJ-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.37
Rot. Bonds5

About N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide

N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide (PubChem CID 68695951) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide
PubChem CID68695951
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide
SMILESCC(C)(C)c1ccc(CNC(=O)CNc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O/c1-19(2,3)15-6-4-14(5-7-15)12-22-18(23)13-21-17-10-8-16(20)9-11-17/h4-11,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyXRSDMOARGQTUNJ-UHFFFAOYSA-N
XLogP4.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-tert-butylanilino)-N-[(4-chlorophenyl)methyl]propanamide
CID 109021704
methyl 4-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]benzoate
CID 26417354
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751
2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 78907391
N-[(4-chlorophenyl)methyl]-2-(3-methylanilino)acetamide
CID 51178267
N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 108998273
N-[(4-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyanilino)acetamide
CID 47064115
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylanilino)acetamide
CID 108998839
N-[(4-tert-butylphenyl)methyl]-2-hydroxyacetamide
CID 69343221
N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 108998258
3-[(4-tert-butylphenyl)methylamino]-3-oxopropanoic acid
CID 115163373
3-(4-tert-butylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 109019825

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide (CID 68695951) is N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide is CC(C)(C)c1ccc(CNC(=O)CNc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide?
The InChIKey is XRSDMOARGQTUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-19(2,3)15-6-4-14(5-7-15)12-22-18(23)13-21-17-10-8-16(20)9-11-17/h4-11,21H,12-13H2,1-3H3,(H,22,23).
What are the key properties of N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide?
N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide has a molecular weight of 330.86 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-2-(4-chloroanilino)acetamide is sourced from PubChem (CID 68695951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).