2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide

C18H19ClFNO — CID 100626606

IUPAC2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
SMILESCC(C)(Cc1ccccc1)NC(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C18H19ClFNO/c1-18(2,12-13-6-4-3-5-7-13)21-17(22)10-14-8-9-15(19)11-16(14)20/h3-9,11H,10,12H2,1-2H3,(H,21,22)
InChIKeyHNBGKSQNNXZSAT-UHFFFAOYSA-N
MW319.81 g/mol
LogP4.16
Rot. Bonds5

About 2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide

2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide (PubChem CID 100626606) has the molecular formula C18H19ClFNO and a molecular weight of 319.81 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
PubChem CID100626606
Molecular FormulaC18H19ClFNO
Molecular Weight319.81 g/mol
Exact Mass319.11
IUPAC Name2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
SMILESCC(C)(Cc1ccccc1)NC(=O)Cc1ccc(Cl)cc1F
InChIInChI=1S/C18H19ClFNO/c1-18(2,12-13-6-4-3-5-7-13)21-17(22)10-14-8-9-15(19)11-16(14)20/h3-9,11H,10,12H2,1-2H3,(H,21,22)
InChIKeyHNBGKSQNNXZSAT-UHFFFAOYSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-2-(4-chloro-2-fluorophenyl)acetamide
CID 56920126
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100702626
2-(4-chlorophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 84568280
2-(4-chloro-2-fluorophenyl)acetohydrazide
CID 162677805
3-[[2-(2,4-dichlorophenyl)acetyl]amino]-3-methylbutanoic acid
CID 64670662
2-(2-fluorophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100769314
2-(4-chloro-2-fluorophenyl)acetic acid
CID 2757563
2-(3-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 62504626
2-(4-chloro-2-fluorophenyl)-N-cyclopropylacetamide
CID 56920036
2-methoxy-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 84570069
2-[(4-chloro-2-fluorophenyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 114848462

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide (CID 100626606) is 2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide is CC(C)(Cc1ccccc1)NC(=O)Cc1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The InChIKey is HNBGKSQNNXZSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO/c1-18(2,12-13-6-4-3-5-7-13)21-17(22)10-14-8-9-15(19)11-16(14)20/h3-9,11H,10,12H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide has a molecular weight of 319.81 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 100626606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).