(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide

C19H18Cl3NO2 — CID 7832813

IUPAC(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide
SMILESC[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H18Cl3NO2/c1-11(25-18-10-15(21)14(20)9-16(18)22)19(24)23-17-8-4-6-12-5-2-3-7-13(12)17/h2-3,5,7,9-11,17H,4,6,8H2,1H3,(H,23,24)/t11-,17+/m1/s1
InChIKeyMMELSCCCPAGOSN-DIFFPNOSSA-N
MW398.72 g/mol
LogP5.61
Rot. Bonds4

About (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide

(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide (PubChem CID 7832813) has the molecular formula C19H18Cl3NO2 and a molecular weight of 398.72 g/mol. Its IUPAC name is (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide
PubChem CID7832813
Molecular FormulaC19H18Cl3NO2
Molecular Weight398.72 g/mol
Exact Mass397.04
IUPAC Name(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide
SMILESC[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C19H18Cl3NO2/c1-11(25-18-10-15(21)14(20)9-16(18)22)19(24)23-17-8-4-6-12-5-2-3-7-13(12)17/h2-3,5,7,9-11,17H,4,6,8H2,1H3,(H,23,24)/t11-,17+/m1/s1
InChIKeyMMELSCCCPAGOSN-DIFFPNOSSA-N
XLogP5.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.72
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 99132182
2-(2,5-dimethylphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43907918
[(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-chlorobenzoate
CID 7477050
(2S)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2447877
(2R)-2-[2-methyl-4-(4-methylphenyl)phenoxy]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2447879
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 2570970
[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 3,5-dichlorobenzoate
CID 7724282
2-[(2-nitro-3-pyridinyl)oxy]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 18193614
[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-chloro-6-fluorobenzoate
CID 7504143
(2S)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832796
(2R)-N-cyclopropyl-2-(2,4,5-trichlorophenoxy)propanamide
CID 7832797
[(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-chloro-5-nitrobenzoate
CID 7486625

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide?
The IUPAC name of (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide (CID 7832813) is (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide?
The canonical SMILES for (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide is C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)N[C@H]1CCCc2ccccc21.
What is the InChIKey of (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide?
The InChIKey is MMELSCCCPAGOSN-DIFFPNOSSA-N. The full InChI is InChI=1S/C19H18Cl3NO2/c1-11(25-18-10-15(21)14(20)9-16(18)22)19(24)23-17-8-4-6-12-5-2-3-7-13(12)17/h2-3,5,7,9-11,17H,4,6,8H2,1H3,(H,23,24)/t11-,17+/m1/s1.
What are the key properties of (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide?
(2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide has a molecular weight of 398.72 g/mol, XLogP of 5.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)propanamide is sourced from PubChem (CID 7832813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).