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

C23H29ClFN3O2 — CID 119592070

IUPACN-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)NC(CN)C2CCCCC2)c1NC(=O)c1ccccc1F.Cl
InChIInChI=1S/C23H28FN3O2.ClH/c1-15-8-7-12-18(21(15)27-22(28)17-11-5-6-13-19(17)24)23(29)26-20(14-25)16-9-3-2-4-10-16;/h5-8,11-13,16,20H,2-4,9-10,14,25H2,1H3,(H,26,29)(H,27,28);1H
InChIKeyCOWHQTFBBIQKHW-UHFFFAOYSA-N
MW433.96 g/mol
LogP4.45
Rot. Bonds6

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

N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride (PubChem CID 119592070) has the molecular formula C23H29ClFN3O2 and a molecular weight of 433.96 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
PubChem CID119592070
Molecular FormulaC23H29ClFN3O2
Molecular Weight433.96 g/mol
Exact Mass433.19
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
SMILESCc1cccc(C(=O)NC(CN)C2CCCCC2)c1NC(=O)c1ccccc1F.Cl
InChIInChI=1S/C23H28FN3O2.ClH/c1-15-8-7-12-18(21(15)27-22(28)17-11-5-6-13-19(17)24)23(29)26-20(14-25)16-9-3-2-4-10-16;/h5-8,11-13,16,20H,2-4,9-10,14,25H2,1H3,(H,26,29)(H,27,28);1H
InChIKeyCOWHQTFBBIQKHW-UHFFFAOYSA-N
XLogP4.45
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.96
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119617713
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N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
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N-[2-(aminomethyl)cyclopentyl]-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
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N-(2-amino-1-cyclohexylethyl)-2-chlorobenzamide
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CID 119589312
N-(2,6-dimethylphenyl)-2-fluorobenzamide
CID 4097270
2-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 115909344
N-(2-amino-1-cyclohexylethyl)-2-iodobenzamide
CID 81487660
N-(2-amino-1-cyclohexylethyl)-2-fluoro-6-iodobenzamide;hydrochloride
CID 119592223
N-(2-amino-1-cyclopentylethyl)-4-fluoro-2-methylbenzamide
CID 106737696
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CID 119429147

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride (CID 119592070) is N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride is Cc1cccc(C(=O)NC(CN)C2CCCCC2)c1NC(=O)c1ccccc1F.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride?
The InChIKey is COWHQTFBBIQKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2.ClH/c1-15-8-7-12-18(21(15)27-22(28)17-11-5-6-13-19(17)24)23(29)26-20(14-25)16-9-3-2-4-10-16;/h5-8,11-13,16,20H,2-4,9-10,14,25H2,1H3,(H,26,29)(H,27,28);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride has a molecular weight of 433.96 g/mol, XLogP of 4.45, 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-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride is sourced from PubChem (CID 119592070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).