N-but-2-enyl-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3,5-difluorophenyl)acetamide

C21H21Cl2F2NO — CID 54352483

IUPACN-but-2-enyl-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3,5-difluorophenyl)acetamide
SMILESCC=CCN(C(=O)C(Cl)c1cc(F)cc(F)c1)c1ccc(Cl)c(C(C)C)c1
InChIInChI=1S/C21H21Cl2F2NO/c1-4-5-8-26(17-6-7-19(22)18(12-17)13(2)3)21(27)20(23)14-9-15(24)11-16(25)10-14/h4-7,9-13,20H,8H2,1-3H3
InChIKeyUGTBDIPLZRTBFR-UHFFFAOYSA-N
MW412.31 g/mol
LogP6.63
Rot. Bonds6

About N-but-2-enyl-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3,5-difluorophenyl)acetamide

N-but-2-enyl-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3,5-difluorophenyl)acetamide (PubChem CID 54352483) has the molecular formula C21H21Cl2F2NO and a molecular weight of 412.31 g/mol. Its IUPAC name is N-but-2-enyl-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3,5-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-but-2-enyl-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3,5-difluorophenyl)acetamide
PubChem CID54352483
Molecular FormulaC21H21Cl2F2NO
Molecular Weight412.31 g/mol
Exact Mass411.10
IUPAC NameN-but-2-enyl-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3,5-difluorophenyl)acetamide
SMILESCC=CCN(C(=O)C(Cl)c1cc(F)cc(F)c1)c1ccc(Cl)c(C(C)C)c1
InChIInChI=1S/C21H21Cl2F2NO/c1-4-5-8-26(17-6-7-19(22)18(12-17)13(2)3)21(27)20(23)14-9-15(24)11-16(25)10-14/h4-7,9-13,20H,8H2,1-3H3
InChIKeyUGTBDIPLZRTBFR-UHFFFAOYSA-N
XLogP6.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.31
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-but-2-enyl]-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3-fluorophenyl)acetamide
CID 19891492
N-but-2-enyl-2-chloro-N-(2-chloro-5-propan-2-ylphenyl)-2-(3-fluorophenyl)acetamide
CID 174304229
N-but-2-enyl-2-chloro-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54049845
2-chloro-N-(3-chloro-4-fluorophenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-2-phenylacetamide
CID 42698583
2-chloro-2-(3,5-difluorophenyl)-N,N-diethylacetamide
CID 106531991
2-chloro-2-(3-chloro-5-fluorophenyl)-N,N-dimethylacetamide
CID 114454641
1-(4-chloro-3-propan-2-ylphenyl)propan-2-one
CID 157171758
ethyl 2-chloro-2-(3,5-difluorophenyl)acetate
CID 106531981
2-[[(E)-3-(2,4-difluorophenyl)prop-2-enyl]-methylamino]propanoic acid
CID 122036742
1-(4-chloro-3-propan-2-ylphenyl)ethanone
CID 58358949
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
3-(2-chloro-5-fluorophenyl)-2-methylbutanoic acid
CID 105396237

Frequently Asked Questions

What is the IUPAC name of N-but-2-enyl-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3,5-difluorophenyl)acetamide?
The IUPAC name of N-but-2-enyl-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3,5-difluorophenyl)acetamide (CID 54352483) is N-but-2-enyl-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3,5-difluorophenyl)acetamide.
What is the SMILES notation for N-but-2-enyl-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3,5-difluorophenyl)acetamide?
The canonical SMILES for N-but-2-enyl-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3,5-difluorophenyl)acetamide is CC=CCN(C(=O)C(Cl)c1cc(F)cc(F)c1)c1ccc(Cl)c(C(C)C)c1.
What is the InChIKey of N-but-2-enyl-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3,5-difluorophenyl)acetamide?
The InChIKey is UGTBDIPLZRTBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2F2NO/c1-4-5-8-26(17-6-7-19(22)18(12-17)13(2)3)21(27)20(23)14-9-15(24)11-16(25)10-14/h4-7,9-13,20H,8H2,1-3H3.
What are the key properties of N-but-2-enyl-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3,5-difluorophenyl)acetamide?
N-but-2-enyl-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3,5-difluorophenyl)acetamide has a molecular weight of 412.31 g/mol, XLogP of 6.63, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enyl-2-chloro-N-(4-chloro-3-propan-2-ylphenyl)-2-(3,5-difluorophenyl)acetamide is sourced from PubChem (CID 54352483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).