4-methoxy-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide

C14H19Cl3N2O3 — CID 7024523

IUPAC4-methoxy-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide
SMILESCOCCCN[C@H](NC(=O)c1ccc(OC)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C14H19Cl3N2O3/c1-21-9-3-8-18-13(14(15,16)17)19-12(20)10-4-6-11(22-2)7-5-10/h4-7,13,18H,3,8-9H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyPHZNVZQXTLLUPY-CYBMUJFWSA-N
MW369.68 g/mol
LogP2.75
Rot. Bonds8

About 4-methoxy-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide

4-methoxy-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide (PubChem CID 7024523) has the molecular formula C14H19Cl3N2O3 and a molecular weight of 369.68 g/mol. Its IUPAC name is 4-methoxy-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide
PubChem CID7024523
Molecular FormulaC14H19Cl3N2O3
Molecular Weight369.68 g/mol
Exact Mass368.05
IUPAC Name4-methoxy-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide
SMILESCOCCCN[C@H](NC(=O)c1ccc(OC)cc1)C(Cl)(Cl)Cl
InChIInChI=1S/C14H19Cl3N2O3/c1-21-9-3-8-18-13(14(15,16)17)19-12(20)10-4-6-11(22-2)7-5-10/h4-7,13,18H,3,8-9H2,1-2H3,(H,19,20)/t13-/m1/s1
InChIKeyPHZNVZQXTLLUPY-CYBMUJFWSA-N
XLogP2.75
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.68
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide
CID 2872694
4-chloro-N-[2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide
CID 3103413
4-methyl-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide
CID 2131109
4-methoxy-N-[(1S)-2,2,2-trichloro-1-(2-phenylethylamino)ethyl]benzamide
CID 1099721
N-[(1S)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]furan-2-carboxamide
CID 31725764
1-(4-methoxyphenyl)-2-(3-methoxypropylamino)propan-1-one
CID 82100724
4-methoxy-N-[(1S)-1,2,2,2-tetrachloroethyl]benzamide
CID 51602914
butyl 4-[[2,2,2-trichloro-1-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 3096942
5-methoxy-2-[(4-methoxybenzoyl)amino]pentanoic acid
CID 81077484
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
4-methoxy-N-[2,2,2-trichloro-1-[(4-hexoxyphenyl)carbamothioylamino]ethyl]benzamide
CID 5253789
butyl-[(1S)-2,2,2-trichloro-1-[(4-methoxybenzoyl)amino]ethyl]azanium
CID 7032634

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide (CID 7024523) is 4-methoxy-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide is COCCCN[C@H](NC(=O)c1ccc(OC)cc1)C(Cl)(Cl)Cl.
What is the InChIKey of 4-methoxy-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide?
The InChIKey is PHZNVZQXTLLUPY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19Cl3N2O3/c1-21-9-3-8-18-13(14(15,16)17)19-12(20)10-4-6-11(22-2)7-5-10/h4-7,13,18H,3,8-9H2,1-2H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 4-methoxy-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide?
4-methoxy-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide has a molecular weight of 369.68 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(1R)-2,2,2-trichloro-1-(3-methoxypropylamino)ethyl]benzamide is sourced from PubChem (CID 7024523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).