N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride

C20H23ClFN3O2 — CID 119617713

IUPACN-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)NC(CN)C2CC2)c1NC(=O)c1ccccc1F.Cl
InChIInChI=1S/C20H22FN3O2.ClH/c1-12-5-4-7-15(20(26)23-17(11-22)13-9-10-13)18(12)24-19(25)14-6-2-3-8-16(14)21;/h2-8,13,17H,9-11,22H2,1H3,(H,23,26)(H,24,25);1H
InChIKeyQYOCWHUFJZOQCL-UHFFFAOYSA-N
MW391.87 g/mol
LogP3.28
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride (PubChem CID 119617713) has the molecular formula C20H23ClFN3O2 and a molecular weight of 391.87 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
PubChem CID119617713
Molecular FormulaC20H23ClFN3O2
Molecular Weight391.87 g/mol
Exact Mass391.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)NC(CN)C2CC2)c1NC(=O)c1ccccc1F.Cl
InChIInChI=1S/C20H22FN3O2.ClH/c1-12-5-4-7-15(20(26)23-17(11-22)13-9-10-13)18(12)24-19(25)14-6-2-3-8-16(14)21;/h2-8,13,17H,9-11,22H2,1H3,(H,23,26)(H,24,25);1H
InChIKeyQYOCWHUFJZOQCL-UHFFFAOYSA-N
XLogP3.28
TPSA84.22 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 ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
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CID 115909344
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CID 119614072
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CID 119613251
N-(2-amino-1-cyclopropylethyl)-2-ethoxy-3-fluorobenzamide
CID 119613240
N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide
CID 65188786
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N-(2-amino-1-cyclopropylethyl)naphthalene-1-carboxamide
CID 65188485

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride (CID 119617713) is N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride is Cc1cccc(C(=O)NC(CN)C2CC2)c1NC(=O)c1ccccc1F.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride?
The InChIKey is QYOCWHUFJZOQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2.ClH/c1-12-5-4-7-15(20(26)23-17(11-22)13-9-10-13)18(12)24-19(25)14-6-2-3-8-16(14)21;/h2-8,13,17H,9-11,22H2,1H3,(H,23,26)(H,24,25);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride has a molecular weight of 391.87 g/mol, XLogP of 3.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride is sourced from PubChem (CID 119617713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).