2-chloro-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-6-methylbenzamide

C19H22Cl2N2O — CID 11525327

IUPAC2-chloro-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-6-methylbenzamide
SMILESCc1cccc(Cl)c1C(=O)NC(CCN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2N2O/c1-13-5-4-6-16(21)18(13)19(24)22-17(11-12-23(2)3)14-7-9-15(20)10-8-14/h4-10,17H,11-12H2,1-3H3,(H,22,24)
InChIKeyAVFNQIJRKYRGOK-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.72
Rot. Bonds6

About 2-chloro-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-6-methylbenzamide

2-chloro-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-6-methylbenzamide (PubChem CID 11525327) has the molecular formula C19H22Cl2N2O and a molecular weight of 365.30 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-6-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-6-methylbenzamide
PubChem CID11525327
Molecular FormulaC19H22Cl2N2O
Molecular Weight365.30 g/mol
Exact Mass364.11
IUPAC Name2-chloro-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-6-methylbenzamide
SMILESCc1cccc(Cl)c1C(=O)NC(CCN(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2N2O/c1-13-5-4-6-16(21)18(13)19(24)22-17(11-12-23(2)3)14-7-9-15(20)10-8-14/h4-10,17H,11-12H2,1-3H3,(H,22,24)
InChIKeyAVFNQIJRKYRGOK-UHFFFAOYSA-N
XLogP4.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-6-methylbenzamide?
The IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-6-methylbenzamide (CID 11525327) is 2-chloro-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-6-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-6-methylbenzamide?
The canonical SMILES for 2-chloro-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-6-methylbenzamide is Cc1cccc(Cl)c1C(=O)NC(CCN(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-6-methylbenzamide?
The InChIKey is AVFNQIJRKYRGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O/c1-13-5-4-6-16(21)18(13)19(24)22-17(11-12-23(2)3)14-7-9-15(20)10-8-14/h4-10,17H,11-12H2,1-3H3,(H,22,24).
What are the key properties of 2-chloro-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-6-methylbenzamide?
2-chloro-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-6-methylbenzamide has a molecular weight of 365.30 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-6-methylbenzamide is sourced from PubChem (CID 11525327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).