N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride

C22H26ClFN3O4- — CID 53352634

IUPACN-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride
SMILESCOc1cc(NC(=O)c2ccccc2F)c(OC)cc1NC(=O)CN1CCCCC1.[Cl-]
InChIInChI=1S/C22H26FN3O4.ClH/c1-29-19-13-18(25-22(28)15-8-4-5-9-16(15)23)20(30-2)12-17(19)24-21(27)14-26-10-6-3-7-11-26;/h4-5,8-9,12-13H,3,6-7,10-11,14H2,1-2H3,(H,24,27)(H,25,28);1H/p-1
InChIKeyHESPTPJHVMVVAR-UHFFFAOYSA-M
MW450.92 g/mol
LogP0.52
Rot. Bonds7

About N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride

N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride (PubChem CID 53352634) has the molecular formula C22H26ClFN3O4- and a molecular weight of 450.92 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride
PubChem CID53352634
Molecular FormulaC22H26ClFN3O4-
Molecular Weight450.92 g/mol
Exact Mass450.16
IUPAC NameN-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride
SMILESCOc1cc(NC(=O)c2ccccc2F)c(OC)cc1NC(=O)CN1CCCCC1.[Cl-]
InChIInChI=1S/C22H26FN3O4.ClH/c1-29-19-13-18(25-22(28)15-8-4-5-9-16(15)23)20(30-2)12-17(19)24-21(27)14-26-10-6-3-7-11-26;/h4-5,8-9,12-13H,3,6-7,10-11,14H2,1-2H3,(H,24,27)(H,25,28);1H/p-1
InChIKeyHESPTPJHVMVVAR-UHFFFAOYSA-M
XLogP0.52
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.92
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide
CID 3195251
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 6469154
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 24674491
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 30776742
2-fluoro-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 4799979
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
2-[(2-fluorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 707198
methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 892472
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
N-(5-chloro-2,4-dimethoxyphenyl)-2-fluorobenzamide
CID 836294
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide
CID 8680244

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride?
The IUPAC name of N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride (CID 53352634) is N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride.
What is the SMILES notation for N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride?
The canonical SMILES for N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride is COc1cc(NC(=O)c2ccccc2F)c(OC)cc1NC(=O)CN1CCCCC1.[Cl-].
What is the InChIKey of N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride?
The InChIKey is HESPTPJHVMVVAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H26FN3O4.ClH/c1-29-19-13-18(25-22(28)15-8-4-5-9-16(15)23)20(30-2)12-17(19)24-21(27)14-26-10-6-3-7-11-26;/h4-5,8-9,12-13H,3,6-7,10-11,14H2,1-2H3,(H,24,27)(H,25,28);1H/p-1.
What are the key properties of N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride?
N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride has a molecular weight of 450.92 g/mol, XLogP of 0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-fluorobenzamide chloride is sourced from PubChem (CID 53352634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).