4-amino-N-[3-[(3,4-dichlorophenyl)methoxy]-2-phenylpropyl]benzamide

C23H22Cl2N2O2 — CID 67196881

IUPAC4-amino-N-[3-[(3,4-dichlorophenyl)methoxy]-2-phenylpropyl]benzamide
SMILESNc1ccc(C(=O)NCC(COCc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1
InChIInChI=1S/C23H22Cl2N2O2/c24-21-11-6-16(12-22(21)25)14-29-15-19(17-4-2-1-3-5-17)13-27-23(28)18-7-9-20(26)10-8-18/h1-12,19H,13-15,26H2,(H,27,28)
InChIKeyNRITXEILGCJBTG-UHFFFAOYSA-N
MW429.35 g/mol
LogP5.31
Rot. Bonds8

About 4-amino-N-[3-[(3,4-dichlorophenyl)methoxy]-2-phenylpropyl]benzamide

4-amino-N-[3-[(3,4-dichlorophenyl)methoxy]-2-phenylpropyl]benzamide (PubChem CID 67196881) has the molecular formula C23H22Cl2N2O2 and a molecular weight of 429.35 g/mol. Its IUPAC name is 4-amino-N-[3-[(3,4-dichlorophenyl)methoxy]-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[3-[(3,4-dichlorophenyl)methoxy]-2-phenylpropyl]benzamide
PubChem CID67196881
Molecular FormulaC23H22Cl2N2O2
Molecular Weight429.35 g/mol
Exact Mass428.11
IUPAC Name4-amino-N-[3-[(3,4-dichlorophenyl)methoxy]-2-phenylpropyl]benzamide
SMILESNc1ccc(C(=O)NCC(COCc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1
InChIInChI=1S/C23H22Cl2N2O2/c24-21-11-6-16(12-22(21)25)14-29-15-19(17-4-2-1-3-5-17)13-27-23(28)18-7-9-20(26)10-8-18/h1-12,19H,13-15,26H2,(H,27,28)
InChIKeyNRITXEILGCJBTG-UHFFFAOYSA-N
XLogP5.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.35
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]carbamoyl]benzoate
CID 87306026
N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 86624059
N-[3-[(3,5-difluorophenyl)methoxy]-2-phenylpropyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 67196995
N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-4-(diethylamino)benzamide;hydrochloride
CID 87305278
[4-[[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]carbamoyl]phenyl]-tert-butylcarbamic acid
CID 89103512
(3,4-dichlorophenyl)methyl 2-[(2-benzamidoacetyl)amino]acetate
CID 3496374
N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]-2,6-dichloropyridine-3-carboxamide
CID 87306390
4-(aminomethyl)-N-(2-phenylbutyl)benzamide;hydrochloride
CID 119271718
4-(methylsulfonylmethyl)-N-(2-phenylbutyl)benzamide
CID 51190386
(3,4-dichlorophenyl)methyl 2-(4-aminophenyl)acetate
CID 61321314
1-benzyl-N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropyl]pyridin-1-ium-3-carboxamide chloride
CID 87304686
4-(acetamidomethyl)-N-[(2S)-2-phenylbutyl]benzamide
CID 35625599

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[(3,4-dichlorophenyl)methoxy]-2-phenylpropyl]benzamide?
The IUPAC name of 4-amino-N-[3-[(3,4-dichlorophenyl)methoxy]-2-phenylpropyl]benzamide (CID 67196881) is 4-amino-N-[3-[(3,4-dichlorophenyl)methoxy]-2-phenylpropyl]benzamide.
What is the SMILES notation for 4-amino-N-[3-[(3,4-dichlorophenyl)methoxy]-2-phenylpropyl]benzamide?
The canonical SMILES for 4-amino-N-[3-[(3,4-dichlorophenyl)methoxy]-2-phenylpropyl]benzamide is Nc1ccc(C(=O)NCC(COCc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1.
What is the InChIKey of 4-amino-N-[3-[(3,4-dichlorophenyl)methoxy]-2-phenylpropyl]benzamide?
The InChIKey is NRITXEILGCJBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O2/c24-21-11-6-16(12-22(21)25)14-29-15-19(17-4-2-1-3-5-17)13-27-23(28)18-7-9-20(26)10-8-18/h1-12,19H,13-15,26H2,(H,27,28).
What are the key properties of 4-amino-N-[3-[(3,4-dichlorophenyl)methoxy]-2-phenylpropyl]benzamide?
4-amino-N-[3-[(3,4-dichlorophenyl)methoxy]-2-phenylpropyl]benzamide has a molecular weight of 429.35 g/mol, XLogP of 5.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[(3,4-dichlorophenyl)methoxy]-2-phenylpropyl]benzamide is sourced from PubChem (CID 67196881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).