[6-(benzhydrylcarbamoyl)-2,3,4-trimethoxyphenyl]azanium chloride

C23H25ClN2O4 — CID 110181282

IUPAC[6-(benzhydrylcarbamoyl)-2,3,4-trimethoxyphenyl]azanium chloride
SMILESCOc1cc(C(=O)NC(c2ccccc2)c2ccccc2)c([NH3+])c(OC)c1OC.[Cl-]
InChIInChI=1S/C23H24N2O4.ClH/c1-27-18-14-17(19(24)22(29-3)21(18)28-2)23(26)25-20(15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-14,20H,24H2,1-3H3,(H,25,26);1H
InChIKeyXGTYZYXCHXFRFY-UHFFFAOYSA-N
MW428.92 g/mol
LogP0.11
Rot. Bonds7

About [6-(benzhydrylcarbamoyl)-2,3,4-trimethoxyphenyl]azanium chloride

[6-(benzhydrylcarbamoyl)-2,3,4-trimethoxyphenyl]azanium chloride (PubChem CID 110181282) has the molecular formula C23H25ClN2O4 and a molecular weight of 428.92 g/mol. Its IUPAC name is [6-(benzhydrylcarbamoyl)-2,3,4-trimethoxyphenyl]azanium chloride.

Molecular Properties

Compound Name[6-(benzhydrylcarbamoyl)-2,3,4-trimethoxyphenyl]azanium chloride
PubChem CID110181282
Molecular FormulaC23H25ClN2O4
Molecular Weight428.92 g/mol
Exact Mass428.15
IUPAC Name[6-(benzhydrylcarbamoyl)-2,3,4-trimethoxyphenyl]azanium chloride
SMILESCOc1cc(C(=O)NC(c2ccccc2)c2ccccc2)c([NH3+])c(OC)c1OC.[Cl-]
InChIInChI=1S/C23H24N2O4.ClH/c1-27-18-14-17(19(24)22(29-3)21(18)28-2)23(26)25-20(15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-14,20H,24H2,1-3H3,(H,25,26);1H
InChIKeyXGTYZYXCHXFRFY-UHFFFAOYSA-N
XLogP0.11
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-[(S)-phenyl(pyridin-3-yl)methyl]benzamide
CID 92500137
2,5-dimethoxy-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 9118748
N-benzhydryl-2,4,5-trimethylbenzamide
CID 100710488
3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647148
3,4,5-trimethoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647149
(E)-N-benzhydryl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 1186267
2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 44765343
N-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30150400
N-[(R)-(2-bromophenyl)-phenylmethyl]-3,4,5-trimethoxybenzamide
CID 985979
5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 93157403
3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 86978352
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574

Frequently Asked Questions

What is the IUPAC name of [6-(benzhydrylcarbamoyl)-2,3,4-trimethoxyphenyl]azanium chloride?
The IUPAC name of [6-(benzhydrylcarbamoyl)-2,3,4-trimethoxyphenyl]azanium chloride (CID 110181282) is [6-(benzhydrylcarbamoyl)-2,3,4-trimethoxyphenyl]azanium chloride.
What is the SMILES notation for [6-(benzhydrylcarbamoyl)-2,3,4-trimethoxyphenyl]azanium chloride?
The canonical SMILES for [6-(benzhydrylcarbamoyl)-2,3,4-trimethoxyphenyl]azanium chloride is COc1cc(C(=O)NC(c2ccccc2)c2ccccc2)c([NH3+])c(OC)c1OC.[Cl-].
What is the InChIKey of [6-(benzhydrylcarbamoyl)-2,3,4-trimethoxyphenyl]azanium chloride?
The InChIKey is XGTYZYXCHXFRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4.ClH/c1-27-18-14-17(19(24)22(29-3)21(18)28-2)23(26)25-20(15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-14,20H,24H2,1-3H3,(H,25,26);1H.
What are the key properties of [6-(benzhydrylcarbamoyl)-2,3,4-trimethoxyphenyl]azanium chloride?
[6-(benzhydrylcarbamoyl)-2,3,4-trimethoxyphenyl]azanium chloride has a molecular weight of 428.92 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(benzhydrylcarbamoyl)-2,3,4-trimethoxyphenyl]azanium chloride is sourced from PubChem (CID 110181282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).