N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide

C17H18ClNO2 — CID 114299189

IUPACN-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(CCCl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-21-16-8-4-14(5-9-16)12-17(20)19-15-6-2-13(3-7-15)10-11-18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyWFVMGGRXOJTCSN-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.66
Rot. Bonds6

About N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide

N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 114299189) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID114299189
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC NameN-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(CCCl)cc2)cc1
InChIInChI=1S/C17H18ClNO2/c1-21-16-8-4-14(5-9-16)12-17(20)19-15-6-2-13(3-7-15)10-11-18/h2-9H,10-12H2,1H3,(H,19,20)
InChIKeyWFVMGGRXOJTCSN-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-aminoethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 28754535
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
N-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]butanamide
CID 17202461
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
N-(4-methoxyphenyl)-2-pyridin-4-ylacetamide
CID 110697333
N-(4-methoxyphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 41139632
2-(4-methoxyphenyl)-N-(4-methylphenyl)acetamide;methyl 2-(4-methoxyphenyl)acetate
CID 161099806
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
N-[4-(cyclopropylamino)phenyl]-2-(4-methoxyphenyl)acetamide
CID 112979974
barium(2+);bis(4-[[2-(4-methoxyphenyl)acetyl]amino]benzenesulfonate)
CID 45049422
2-(4-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]acetamide
CID 110314406

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide (CID 114299189) is N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(CCCl)cc2)cc1.
What is the InChIKey of N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is WFVMGGRXOJTCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-21-16-8-4-14(5-9-16)12-17(20)19-15-6-2-13(3-7-15)10-11-18/h2-9H,10-12H2,1H3,(H,19,20).
What are the key properties of N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide?
N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 303.79 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 114299189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).