N-[4-acetamido-2-(trifluoromethyl)phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide

C14H13Cl2F3N2O2 — CID 43041008

IUPACN-[4-acetamido-2-(trifluoromethyl)phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(C)CC2(Cl)Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H13Cl2F3N2O2/c1-7(22)20-8-3-4-10(9(5-8)14(17,18)19)21-11(23)12(2)6-13(12,15)16/h3-5H,6H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyBFKYUSOZVSVYKG-UHFFFAOYSA-N
MW369.17 g/mol
LogP4.19
Rot. Bonds3

About N-[4-acetamido-2-(trifluoromethyl)phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide

N-[4-acetamido-2-(trifluoromethyl)phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide (PubChem CID 43041008) has the molecular formula C14H13Cl2F3N2O2 and a molecular weight of 369.17 g/mol. Its IUPAC name is N-[4-acetamido-2-(trifluoromethyl)phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide
PubChem CID43041008
Molecular FormulaC14H13Cl2F3N2O2
Molecular Weight369.17 g/mol
Exact Mass368.03
IUPAC NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2(C)CC2(Cl)Cl)c(C(F)(F)F)c1
InChIInChI=1S/C14H13Cl2F3N2O2/c1-7(22)20-8-3-4-10(9(5-8)14(17,18)19)21-11(23)12(2)6-13(12,15)16/h3-5H,6H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyBFKYUSOZVSVYKG-UHFFFAOYSA-N
XLogP4.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.17
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 17071382
(2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide
CID 78973301
tert-butyl N-[4-acetamido-3-(trifluoromethyl)phenyl]carbamate
CID 56827231
2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide
CID 42910446
2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide
CID 42910477
N-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 46687715
4-[[4-acetamido-2-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 122075194
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)phenyl]acetamide
CID 171393278
N-[4-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide
CID 24591363
2,2-dichloro-1-methyl-N-phenylcyclopropane-1-carboxamide
CID 16624359
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 46509122

Frequently Asked Questions

What is the IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide (CID 43041008) is N-[4-acetamido-2-(trifluoromethyl)phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-acetamido-2-(trifluoromethyl)phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-acetamido-2-(trifluoromethyl)phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide is CC(=O)Nc1ccc(NC(=O)C2(C)CC2(Cl)Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The InChIKey is BFKYUSOZVSVYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2F3N2O2/c1-7(22)20-8-3-4-10(9(5-8)14(17,18)19)21-11(23)12(2)6-13(12,15)16/h3-5H,6H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[4-acetamido-2-(trifluoromethyl)phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
N-[4-acetamido-2-(trifluoromethyl)phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide has a molecular weight of 369.17 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetamido-2-(trifluoromethyl)phenyl]-2,2-dichloro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 43041008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).