N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-methoxy-2-methylbenzamide

C20H25ClN2O2 — CID 11496131

IUPACN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)NC(CCN(C)C)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C20H25ClN2O2/c1-14-17(6-5-7-19(14)25-4)20(24)22-18(12-13-23(2)3)15-8-10-16(21)11-9-15/h5-11,18H,12-13H2,1-4H3,(H,22,24)
InChIKeyGPINFPMRDYFGDG-UHFFFAOYSA-N
MW360.89 g/mol
LogP4.08
Rot. Bonds7

About N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-methoxy-2-methylbenzamide

N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-methoxy-2-methylbenzamide (PubChem CID 11496131) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-methoxy-2-methylbenzamide
PubChem CID11496131
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC NameN-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)NC(CCN(C)C)c2ccc(Cl)cc2)c1C
InChIInChI=1S/C20H25ClN2O2/c1-14-17(6-5-7-19(14)25-4)20(24)22-18(12-13-23(2)3)15-8-10-16(21)11-9-15/h5-11,18H,12-13H2,1-4H3,(H,22,24)
InChIKeyGPINFPMRDYFGDG-UHFFFAOYSA-N
XLogP4.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-methoxy-2-methylbenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-methoxy-2-methylbenzamide (CID 11496131) is N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-methoxy-2-methylbenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-methoxy-2-methylbenzamide is COc1cccc(C(=O)NC(CCN(C)C)c2ccc(Cl)cc2)c1C.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-methoxy-2-methylbenzamide?
The InChIKey is GPINFPMRDYFGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-14-17(6-5-7-19(14)25-4)20(24)22-18(12-13-23(2)3)15-8-10-16(21)11-9-15/h5-11,18H,12-13H2,1-4H3,(H,22,24).
What are the key properties of N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-methoxy-2-methylbenzamide?
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-methoxy-2-methylbenzamide has a molecular weight of 360.89 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-methoxy-2-methylbenzamide is sourced from PubChem (CID 11496131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).