2-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide

C16H14Cl4N2O2 — CID 1381279

IUPAC2-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide
SMILESCOc1ccc(N[C@H](NC(=O)c2ccccc2Cl)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C16H14Cl4N2O2/c1-24-11-8-6-10(7-9-11)21-15(16(18,19)20)22-14(23)12-4-2-3-5-13(12)17/h2-9,15,21H,1H3,(H,22,23)/t15-/m1/s1
InChIKeyYTQLYEZNPGYFNU-OAHLLOKOSA-N
MW408.11 g/mol
LogP4.89
Rot. Bonds5

About 2-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide

2-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide (PubChem CID 1381279) has the molecular formula C16H14Cl4N2O2 and a molecular weight of 408.11 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide
PubChem CID1381279
Molecular FormulaC16H14Cl4N2O2
Molecular Weight408.11 g/mol
Exact Mass405.98
IUPAC Name2-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide
SMILESCOc1ccc(N[C@H](NC(=O)c2ccccc2Cl)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C16H14Cl4N2O2/c1-24-11-8-6-10(7-9-11)21-15(16(18,19)20)22-14(23)12-4-2-3-5-13(12)17/h2-9,15,21H,1H3,(H,22,23)/t15-/m1/s1
InChIKeyYTQLYEZNPGYFNU-OAHLLOKOSA-N
XLogP4.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.11
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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

2-chloro-N-[(1S)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide
CID 1381280
2-chloro-N-[(1S)-2,2,2-trichloro-1-(4-nitroanilino)ethyl]benzamide
CID 7060230
2-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 976730
2-methoxy-N-[(1R)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]benzamide
CID 7060127
butyl 4-[[2,2,2-trichloro-1-[(4-methoxybenzoyl)amino]ethyl]amino]benzoate
CID 3096942
3,4-dimethoxy-N-[2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide
CID 2887409
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55925743
[1-(4-methoxyanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55935157
2-chloro-N-[2-(4-methoxyanilino)phenyl]benzamide
CID 86081867
2-nitro-N-[(1S)-2,2,2-trichloro-1-(4-chloroanilino)ethyl]benzamide
CID 1380081
2-methoxy-N-[2,2,2-trichloro-1-(3-methylanilino)ethyl]benzamide
CID 3092691
2-chloro-N'-(4-methoxybenzoyl)benzohydrazide
CID 2170875

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide (CID 1381279) is 2-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide is COc1ccc(N[C@H](NC(=O)c2ccccc2Cl)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 2-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide?
The InChIKey is YTQLYEZNPGYFNU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H14Cl4N2O2/c1-24-11-8-6-10(7-9-11)21-15(16(18,19)20)22-14(23)12-4-2-3-5-13(12)17/h2-9,15,21H,1H3,(H,22,23)/t15-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide?
2-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide has a molecular weight of 408.11 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-2,2,2-trichloro-1-(4-methoxyanilino)ethyl]benzamide is sourced from PubChem (CID 1381279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).