4-amino-5-chloro-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide

C21H26ClN3O2 — CID 119836255

IUPAC4-amino-5-chloro-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H26ClN3O2/c1-27-20-12-19(23)18(22)11-17(20)21(26)24-13-15-5-7-16(8-6-15)14-25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10,13-14,23H2,1H3,(H,24,26)
InChIKeyHYQTUQXQHQYTFI-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.85
Rot. Bonds6

About 4-amino-5-chloro-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide

4-amino-5-chloro-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 119836255) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID119836255
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name4-amino-5-chloro-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H26ClN3O2/c1-27-20-12-19(23)18(22)11-17(20)21(26)24-13-15-5-7-16(8-6-15)14-25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10,13-14,23H2,1H3,(H,24,26)
InChIKeyHYQTUQXQHQYTFI-UHFFFAOYSA-N
XLogP3.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 119756204
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CID 119730378
4-amino-5-chloro-2-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide;dihydrochloride
CID 119834795
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602273
4-amino-5-chloro-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methoxybenzamide
CID 3078817
4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide;dihydrochloride
CID 119827622
(4-amino-5-chloro-2-methoxyphenyl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 119838920
4-amino-5-chloro-2-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 119831449
4-amino-5-chloro-N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-methoxybenzamide
CID 119901818
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide
CID 55746600
4-chloro-2-fluoro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8533201
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17492372

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide (CID 119836255) is 4-amino-5-chloro-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide is COc1cc(N)c(Cl)cc1C(=O)NCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is HYQTUQXQHQYTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-27-20-12-19(23)18(22)11-17(20)21(26)24-13-15-5-7-16(8-6-15)14-25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10,13-14,23H2,1H3,(H,24,26).
What are the key properties of 4-amino-5-chloro-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide?
4-amino-5-chloro-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 387.91 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 119836255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).