2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide

C12H14Cl2FNO — CID 23109639

IUPAC2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide
SMILESCC(C)(Cc1ccc(Cl)c(F)c1)NC(=O)CCl
InChIInChI=1S/C12H14Cl2FNO/c1-12(2,16-11(17)7-13)6-8-3-4-9(14)10(15)5-8/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyHFCPHIDOZPPDOF-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.16
Rot. Bonds4

About 2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide

2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide (PubChem CID 23109639) has the molecular formula C12H14Cl2FNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide
PubChem CID23109639
Molecular FormulaC12H14Cl2FNO
Molecular Weight278.15 g/mol
Exact Mass277.04
IUPAC Name2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide
SMILESCC(C)(Cc1ccc(Cl)c(F)c1)NC(=O)CCl
InChIInChI=1S/C12H14Cl2FNO/c1-12(2,16-11(17)7-13)6-8-3-4-9(14)10(15)5-8/h3-5H,6-7H2,1-2H3,(H,16,17)
InChIKeyHFCPHIDOZPPDOF-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.16
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-(1-amino-2-methylpropan-2-yl)-3-(4-chloro-3-fluorophenyl)propanamide
CID 110833364
2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 82130304
2-[(4-chloro-3-fluorophenyl)methyl]-2-methylpentanoic acid
CID 107883005
2-chloro-4-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]benzene-1,4-diamine
CID 153408997
N-[(4-chloro-3-fluorophenyl)methyl]-2-methylpentan-2-amine
CID 115621691
2-chloro-N-[4-(4-fluorophenyl)-2-methylbutan-2-yl]acetamide
CID 94692059
2-[(4-chloro-3-fluorophenyl)methyl]-3-(cyclopropylamino)-2-methyl-3-oxopropanoic acid
CID 107889838
1-(4-chloro-3-fluorophenyl)-3,3-difluorobutan-2-one
CID 130985316
3-[(4-chloro-3-fluorophenyl)methylamino]-3-methylbutan-1-ol
CID 111469040
3-(4-chloro-3-fluorophenyl)-2-cyclopropyl-2-methylpropanoic acid
CID 107883030
N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide
CID 110832954
2-amino-N-[1-(3,4-difluorophenyl)-2-methylpropan-2-yl]propanamide
CID 118878544

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide (CID 23109639) is 2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide is CC(C)(Cc1ccc(Cl)c(F)c1)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide?
The InChIKey is HFCPHIDOZPPDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FNO/c1-12(2,16-11(17)7-13)6-8-3-4-9(14)10(15)5-8/h3-5H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide?
2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide has a molecular weight of 278.15 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide is sourced from PubChem (CID 23109639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).