(2R)-N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]propanamide

C17H16ClF3N2O2 — CID 32509495

IUPAC(2R)-N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]propanamide
SMILESCc1c(Cl)cccc1NC(=O)[C@@H](C)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16ClF3N2O2/c1-10-14(18)4-3-5-15(10)23-16(24)11(2)22-12-6-8-13(9-7-12)25-17(19,20)21/h3-9,11,22H,1-2H3,(H,23,24)/t11-/m1/s1
InChIKeyVXECXYFPPRJRQH-LLVKDONJSA-N
MW372.77 g/mol
LogP4.99
Rot. Bonds5

About (2R)-N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]propanamide

(2R)-N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]propanamide (PubChem CID 32509495) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is (2R)-N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]propanamide
PubChem CID32509495
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC Name(2R)-N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]propanamide
SMILESCc1c(Cl)cccc1NC(=O)[C@@H](C)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H16ClF3N2O2/c1-10-14(18)4-3-5-15(10)23-16(24)11(2)22-12-6-8-13(9-7-12)25-17(19,20)21/h3-9,11,22H,1-2H3,(H,23,24)/t11-/m1/s1
InChIKeyVXECXYFPPRJRQH-LLVKDONJSA-N
XLogP4.99
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 51242254
N-(2-chlorophenyl)-2-(4-fluoroanilino)propanamide
CID 51242355
N-(3-chloro-2-methylphenyl)-2-methylpropanamide
CID 2057455
1-(3-fluoro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 46860155
1-(3-chloro-2-methylphenyl)-3-(4-propan-2-yloxyphenyl)urea
CID 108991783
(2S)-2-(3-chloro-2-methylanilino)-N-(2-methoxyphenyl)propanamide
CID 2475334
2-(3,5-dimethoxyanilino)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 45100106
(2R)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-[4-(trifluoromethoxy)anilino]propanamide
CID 51925783
2-(4-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242458
N-(3-chloro-2-methylphenyl)-2-[3-methyl-4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 42935089
N-(3-chloro-2-methylphenyl)-2-sulfanylpropanamide
CID 83768417
(2S)-N-(3-chloro-2-methylphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 2224879

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]propanamide?
The IUPAC name of (2R)-N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]propanamide (CID 32509495) is (2R)-N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]propanamide.
What is the SMILES notation for (2R)-N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]propanamide?
The canonical SMILES for (2R)-N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]propanamide is Cc1c(Cl)cccc1NC(=O)[C@@H](C)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (2R)-N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]propanamide?
The InChIKey is VXECXYFPPRJRQH-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c1-10-14(18)4-3-5-15(10)23-16(24)11(2)22-12-6-8-13(9-7-12)25-17(19,20)21/h3-9,11,22H,1-2H3,(H,23,24)/t11-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]propanamide?
(2R)-N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]propanamide has a molecular weight of 372.77 g/mol, XLogP of 4.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-2-methylphenyl)-2-[4-(trifluoromethoxy)anilino]propanamide is sourced from PubChem (CID 32509495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).