trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide

C14H17FN2O2 — CID 9441278

IUPACtrans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)N(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2/c1-9-7-12(9)14(19)17(2)8-13(18)16-11-5-3-10(15)4-6-11/h3-6,9,12H,7-8H2,1-2H3,(H,16,18)/t9-,12-/m1/s1
InChIKeyCXICTUXHLXNIKZ-BXKDBHETSA-N
MW264.30 g/mol
LogP1.88
Rot. Bonds4

About trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide (PubChem CID 9441278) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
PubChem CID9441278
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Nametrans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)N(C)CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H17FN2O2/c1-9-7-12(9)14(19)17(2)8-13(18)16-11-5-3-10(15)4-6-11/h3-6,9,12H,7-8H2,1-2H3,(H,16,18)/t9-,12-/m1/s1
InChIKeyCXICTUXHLXNIKZ-BXKDBHETSA-N
XLogP1.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 42907979
trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 9417409
(2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide
CID 9440816
3-(4-fluorophenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pyrazolidine-4-carboxamide
CID 75625270
2-[cyclopropyl(methyl)amino]-N-(4-fluorophenyl)acetamide
CID 47166447
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 25162519
cis-(1R,2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 2650123
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107
cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 38635337
N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79389093
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 8503180

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide (CID 9441278) is trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)N(C)CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is CXICTUXHLXNIKZ-BXKDBHETSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-9-7-12(9)14(19)17(2)8-13(18)16-11-5-3-10(15)4-6-11/h3-6,9,12H,7-8H2,1-2H3,(H,16,18)/t9-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 264.30 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 9441278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).