2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide

C22H26Cl2N2O2 — CID 59347931

IUPAC2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide
SMILESCOc1cc(Cl)cc(Cl)c1C(=O)NC(c1ccccc1)C1(N(C)C)CCCC1
InChIInChI=1S/C22H26Cl2N2O2/c1-26(2)22(11-7-8-12-22)20(15-9-5-4-6-10-15)25-21(27)19-17(24)13-16(23)14-18(19)28-3/h4-6,9-10,13-14,20H,7-8,11-12H2,1-3H3,(H,25,27)
InChIKeyFRCWQQDGDLIPEQ-UHFFFAOYSA-N
MW421.37 g/mol
LogP5.35
Rot. Bonds6

About 2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide

2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide (PubChem CID 59347931) has the molecular formula C22H26Cl2N2O2 and a molecular weight of 421.37 g/mol. Its IUPAC name is 2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide
PubChem CID59347931
Molecular FormulaC22H26Cl2N2O2
Molecular Weight421.37 g/mol
Exact Mass420.14
IUPAC Name2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide
SMILESCOc1cc(Cl)cc(Cl)c1C(=O)NC(c1ccccc1)C1(N(C)C)CCCC1
InChIInChI=1S/C22H26Cl2N2O2/c1-26(2)22(11-7-8-12-22)20(15-9-5-4-6-10-15)25-21(27)19-17(24)13-16(23)14-18(19)28-3/h4-6,9-10,13-14,20H,7-8,11-12H2,1-3H3,(H,25,27)
InChIKeyFRCWQQDGDLIPEQ-UHFFFAOYSA-N
XLogP5.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.37
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide?
The IUPAC name of 2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide (CID 59347931) is 2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide.
What is the SMILES notation for 2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide?
The canonical SMILES for 2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide is COc1cc(Cl)cc(Cl)c1C(=O)NC(c1ccccc1)C1(N(C)C)CCCC1.
What is the InChIKey of 2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide?
The InChIKey is FRCWQQDGDLIPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O2/c1-26(2)22(11-7-8-12-22)20(15-9-5-4-6-10-15)25-21(27)19-17(24)13-16(23)14-18(19)28-3/h4-6,9-10,13-14,20H,7-8,11-12H2,1-3H3,(H,25,27).
What are the key properties of 2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide?
2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide has a molecular weight of 421.37 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide is sourced from PubChem (CID 59347931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).