N-[4-[butyl(methyl)amino]phenyl]-2-(4-chlorophenyl)acetamide

C19H23ClN2O — CID 112985317

IUPACN-[4-[butyl(methyl)amino]phenyl]-2-(4-chlorophenyl)acetamide
SMILESCCCCN(C)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O/c1-3-4-13-22(2)18-11-9-17(10-12-18)21-19(23)14-15-5-7-16(20)8-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeySJQRCJQKONIVPX-UHFFFAOYSA-N
MW330.86 g/mol
LogP4.76
Rot. Bonds7

About N-[4-[butyl(methyl)amino]phenyl]-2-(4-chlorophenyl)acetamide

N-[4-[butyl(methyl)amino]phenyl]-2-(4-chlorophenyl)acetamide (PubChem CID 112985317) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[4-[butyl(methyl)amino]phenyl]-2-(4-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-[4-[butyl(methyl)amino]phenyl]-2-(4-chlorophenyl)acetamide
PubChem CID112985317
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-[4-[butyl(methyl)amino]phenyl]-2-(4-chlorophenyl)acetamide
SMILESCCCCN(C)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O/c1-3-4-13-22(2)18-11-9-17(10-12-18)21-19(23)14-15-5-7-16(20)8-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeySJQRCJQKONIVPX-UHFFFAOYSA-N
XLogP4.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl]acetamide
CID 100788537
4-chloro-N-[3-[4-[methyl(propyl)amino]anilino]-3-oxopropyl]benzamide
CID 123537340
2-[acetyl(butyl)amino]-N-(4-chlorophenyl)acetamide
CID 113158729
2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4143935
ethyl 2-[4-[butyl(methyl)amino]phenyl]acetate
CID 90146756
N-(4-chlorophenyl)-2-(4-fluorophenyl)acetamide
CID 7027780
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-[4-[butyl(methyl)amino]phenyl]-2-methylbenzamide
CID 112985297
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
2-(4-chlorophenyl)-N-[4-[(1,1-dioxothiolan-3-yl)-methylamino]phenyl]acetamide
CID 112983873
N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015350
2-[butyl(methyl)amino]-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109312235

Frequently Asked Questions

What is the IUPAC name of N-[4-[butyl(methyl)amino]phenyl]-2-(4-chlorophenyl)acetamide?
The IUPAC name of N-[4-[butyl(methyl)amino]phenyl]-2-(4-chlorophenyl)acetamide (CID 112985317) is N-[4-[butyl(methyl)amino]phenyl]-2-(4-chlorophenyl)acetamide.
What is the SMILES notation for N-[4-[butyl(methyl)amino]phenyl]-2-(4-chlorophenyl)acetamide?
The canonical SMILES for N-[4-[butyl(methyl)amino]phenyl]-2-(4-chlorophenyl)acetamide is CCCCN(C)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[butyl(methyl)amino]phenyl]-2-(4-chlorophenyl)acetamide?
The InChIKey is SJQRCJQKONIVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-3-4-13-22(2)18-11-9-17(10-12-18)21-19(23)14-15-5-7-16(20)8-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[butyl(methyl)amino]phenyl]-2-(4-chlorophenyl)acetamide?
N-[4-[butyl(methyl)amino]phenyl]-2-(4-chlorophenyl)acetamide has a molecular weight of 330.86 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[butyl(methyl)amino]phenyl]-2-(4-chlorophenyl)acetamide is sourced from PubChem (CID 112985317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).