N-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride

C20H23ClFN3O2 — CID 119718420

IUPACN-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)Nc1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C20H22FN3O2.ClH/c21-18-6-2-1-4-15(18)13-23-20(26)14-7-9-16(10-8-14)24-19(25)12-17-5-3-11-22-17;/h1-2,4,6-10,17,22H,3,5,11-13H2,(H,23,26)(H,24,25);1H
InChIKeyVUYLUTSOVHXXLP-UHFFFAOYSA-N
MW391.87 g/mol
LogP3.26
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride

N-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride (PubChem CID 119718420) has the molecular formula C20H23ClFN3O2 and a molecular weight of 391.87 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
PubChem CID119718420
Molecular FormulaC20H23ClFN3O2
Molecular Weight391.87 g/mol
Exact Mass391.15
IUPAC NameN-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)Nc1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C20H22FN3O2.ClH/c21-18-6-2-1-4-15(18)13-23-20(26)14-7-9-16(10-8-14)24-19(25)12-17-5-3-11-22-17;/h1-2,4,6-10,17,22H,3,5,11-13H2,(H,23,26)(H,24,25);1H
InChIKeyVUYLUTSOVHXXLP-UHFFFAOYSA-N
XLogP3.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.87
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119286603
N-phenyl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119756453
methyl 2-[[4-[(2-pyrrolidin-2-ylacetyl)amino]benzoyl]amino]acetate;hydrochloride
CID 119692977
N-propan-2-yl-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride
CID 119740098
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-[2-(2-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371407
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974926
4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513146
N-(4-chloro-3-fluorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708349
4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 119718400
N-[1-(2-fluorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119722793

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride (CID 119718420) is N-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride is Cl.O=C(CC1CCCN1)Nc1ccc(C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
The InChIKey is VUYLUTSOVHXXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2.ClH/c21-18-6-2-1-4-15(18)13-23-20(26)14-7-9-16(10-8-14)24-19(25)12-17-5-3-11-22-17;/h1-2,4,6-10,17,22H,3,5,11-13H2,(H,23,26)(H,24,25);1H.
What are the key properties of N-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride?
N-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride has a molecular weight of 391.87 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-[(2-pyrrolidin-2-ylacetyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 119718420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).