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

C12H15ClFNO — CID 90022499

IUPACN-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H15ClFNO/c1-8(16)15-12(2,3)7-9-4-5-10(13)11(14)6-9/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyLTTFZSPFRXTAQL-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.94
Rot. Bonds3

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

N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide (PubChem CID 90022499) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide
PubChem CID90022499
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H15ClFNO/c1-8(16)15-12(2,3)7-9-4-5-10(13)11(14)6-9/h4-6H,7H2,1-3H3,(H,15,16)
InChIKeyLTTFZSPFRXTAQL-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cloforex
CID 26602
2-(4-chlorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 977625
N-[2-(4-chlorophenyl)ethyl]acetamide
CID 9877644
1-(4-Chloro-alpha,alpha-dimethylphenethyl)-urea
CID 262939
4-(4-Chlorophenyl)-5-methylidenepyrrol-2-one
CID 90329704
N-tert-butyl-2-(2-chloro-6-fluorophenyl)acetamide
CID 841915
N-(1,1-Dimethyl-2-phenylethyl)-2,2,2-trifluoroacetamide
CID 592937
2-Propanone, 1-(p-chlorophenyl-tert-butyl)amino-
CID 86981
Propionamide, 2-amino-N-(p-chloro-alpha,alpha-dimethyl)-, hydrochloride
CID 3047331
N-Tert-butyl-3-(4-chlorophenyl)acrylamide
CID 692379
(S)-N-tert-butyl-2-(4-chlorophenyl)-3-methylbutanamide
CID 46226107
4-(4-Chlorophenyl)-3-methyl-5-methylidenepyrrol-2-one
CID 155560009

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide (CID 90022499) is N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide is CC(=O)NC(C)(C)Cc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide?
The InChIKey is LTTFZSPFRXTAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-8(16)15-12(2,3)7-9-4-5-10(13)11(14)6-9/h4-6H,7H2,1-3H3,(H,15,16).
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide?
N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide has a molecular weight of 243.71 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)-2-methylpropan-2-yl]acetamide is sourced from PubChem (CID 90022499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).