N-[4-(2-chloroethyl)phenyl]-2-methyl-2-phenylpropanamide

C18H20ClNO — CID 114299125

IUPACN-[4-(2-chloroethyl)phenyl]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(CCCl)cc1)c1ccccc1
InChIInChI=1S/C18H20ClNO/c1-18(2,15-6-4-3-5-7-15)17(21)20-16-10-8-14(9-11-16)12-13-19/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyACCNOEHQRNPYHO-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.38
Rot. Bonds5

About N-[4-(2-chloroethyl)phenyl]-2-methyl-2-phenylpropanamide

N-[4-(2-chloroethyl)phenyl]-2-methyl-2-phenylpropanamide (PubChem CID 114299125) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is N-[4-(2-chloroethyl)phenyl]-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(2-chloroethyl)phenyl]-2-methyl-2-phenylpropanamide
PubChem CID114299125
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC NameN-[4-(2-chloroethyl)phenyl]-2-methyl-2-phenylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(CCCl)cc1)c1ccccc1
InChIInChI=1S/C18H20ClNO/c1-18(2,15-6-4-3-5-7-15)17(21)20-16-10-8-14(9-11-16)12-13-19/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyACCNOEHQRNPYHO-UHFFFAOYSA-N
XLogP4.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-chloroethyl)phenyl]-3-phenylpropanamide
CID 114299237
3-[4-[[2-methyl-2-(2-methylphenyl)propanoyl]amino]phenyl]propanoic acid
CID 119252418
N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide
CID 9096519
N-[4-(cyanomethoxy)phenyl]-2-methyl-2-phenylpropanamide
CID 24654714
N-(3,5-difluorophenyl)-2-methyl-2-phenylpropanamide
CID 47126345
[4-(2-chloroethyl)phenyl]urea
CID 70156688
2-methyl-2-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 34947849
N-[4-(2-chloroethyl)phenyl]-2-phenoxyacetamide
CID 114299206
ethyl 3-[4-[(2-methyl-2-phenylpropanoyl)amino]phenyl]prop-2-enoate
CID 74542837
N-[4-(2-chloroethyl)phenyl]pyridine-2-carboxamide
CID 113272163
3-[4-[(2-methyl-2-thiophen-2-ylpropanoyl)amino]phenyl]propanoic acid
CID 119252211
N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-phenylpropanamide
CID 63253292

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroethyl)phenyl]-2-methyl-2-phenylpropanamide?
The IUPAC name of N-[4-(2-chloroethyl)phenyl]-2-methyl-2-phenylpropanamide (CID 114299125) is N-[4-(2-chloroethyl)phenyl]-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-[4-(2-chloroethyl)phenyl]-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-[4-(2-chloroethyl)phenyl]-2-methyl-2-phenylpropanamide is CC(C)(C(=O)Nc1ccc(CCCl)cc1)c1ccccc1.
What is the InChIKey of N-[4-(2-chloroethyl)phenyl]-2-methyl-2-phenylpropanamide?
The InChIKey is ACCNOEHQRNPYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-18(2,15-6-4-3-5-7-15)17(21)20-16-10-8-14(9-11-16)12-13-19/h3-11H,12-13H2,1-2H3,(H,20,21).
What are the key properties of N-[4-(2-chloroethyl)phenyl]-2-methyl-2-phenylpropanamide?
N-[4-(2-chloroethyl)phenyl]-2-methyl-2-phenylpropanamide has a molecular weight of 301.82 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroethyl)phenyl]-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 114299125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).