3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide

C22H26Cl2N2O2 — CID 11539036

IUPAC3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=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)17-13-16(23)14-18(24)19(17)28-3/h4-6,9-10,13-14,20H,7-8,11-12H2,1-3H3,(H,25,27)
InChIKeyAIDKHKGRRHVEQW-UHFFFAOYSA-N
MW421.37 g/mol
LogP5.35
Rot. Bonds6

About 3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide

3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide (PubChem CID 11539036) has the molecular formula C22H26Cl2N2O2 and a molecular weight of 421.37 g/mol. Its IUPAC name is 3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide
PubChem CID11539036
Molecular FormulaC22H26Cl2N2O2
Molecular Weight421.37 g/mol
Exact Mass420.14
IUPAC Name3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide
SMILESCOc1c(Cl)cc(Cl)cc1C(=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)17-13-16(23)14-18(24)19(17)28-3/h4-6,9-10,13-14,20H,7-8,11-12H2,1-3H3,(H,25,27)
InChIKeyAIDKHKGRRHVEQW-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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Related Compounds

2,4-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-6-methoxybenzamide
CID 59347931
6-chloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]naphthalene-1-carboxamide
CID 11711197
2-chloro-N-[[1-[ethyl(methyl)amino]cyclopentyl]-phenylmethyl]-5-methoxybenzamide
CID 143249927
2,3,6-trichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]benzamide
CID 59347870
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methylsulfanylbenzamide
CID 11537937
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]quinoline-4-carboxamide
CID 11516293
N-[[1-(dimethylamino)cyclohexyl]-phenylmethyl]-2-(trifluoromethyl)quinoline-4-carboxamide
CID 11576123
N-[(4-chlorophenyl)-[1-(dimethylamino)cyclopentyl]methyl]-2,6-dimethylbenzamide
CID 11689547
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-8-methyl-2-(trifluoromethyl)quinoline-4-carboxamide
CID 11683926
3,5-dichloro-2-methoxy-N-methylbenzamide
CID 116827624
N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2,2-dimethyl-1,3-benzodioxole-5-carboxamide
CID 11654079
2-(3,5-dichloro-2-methoxyphenyl)-2-oxoacetic acid
CID 82296770

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide?
The IUPAC name of 3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide (CID 11539036) is 3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide?
The canonical SMILES for 3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide is COc1c(Cl)cc(Cl)cc1C(=O)NC(c1ccccc1)C1(N(C)C)CCCC1.
What is the InChIKey of 3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide?
The InChIKey is AIDKHKGRRHVEQW-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)17-13-16(23)14-18(24)19(17)28-3/h4-6,9-10,13-14,20H,7-8,11-12H2,1-3H3,(H,25,27).
What are the key properties of 3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide?
3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-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 3,5-dichloro-N-[[1-(dimethylamino)cyclopentyl]-phenylmethyl]-2-methoxybenzamide is sourced from PubChem (CID 11539036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).