4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride

C21H25ClFN3O2 — CID 119718400

IUPAC4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)C1
InChIInChI=1S/C21H24FN3O2.ClH/c22-19-7-2-1-4-16(19)13-24-20(26)14-8-10-18(11-9-14)25-21(27)15-5-3-6-17(23)12-15;/h1-2,4,7-11,15,17H,3,5-6,12-13,23H2,(H,24,26)(H,25,27);1H
InChIKeyDPBWHSSFZNVIBD-UHFFFAOYSA-N
MW405.90 g/mol
LogP3.63
Rot. Bonds5

About 4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride

4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride (PubChem CID 119718400) has the molecular formula C21H25ClFN3O2 and a molecular weight of 405.90 g/mol. Its IUPAC name is 4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
PubChem CID119718400
Molecular FormulaC21H25ClFN3O2
Molecular Weight405.90 g/mol
Exact Mass405.16
IUPAC Name4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
SMILESCl.NC1CCCC(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)C1
InChIInChI=1S/C21H24FN3O2.ClH/c22-19-7-2-1-4-16(19)13-24-20(26)14-8-10-18(11-9-14)25-21(27)15-5-3-6-17(23)12-15;/h1-2,4,7-11,15,17H,3,5-6,12-13,23H2,(H,24,26)(H,25,27);1H
InChIKeyDPBWHSSFZNVIBD-UHFFFAOYSA-N
XLogP3.63
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.90
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974926
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119286603
methyl 3-[[4-[(3-aminocyclohexanecarbonyl)amino]benzoyl]amino]propanoate;hydrochloride
CID 119701343
4-[(3-aminocyclohexanecarbonyl)amino]-N-cyclopropylbenzamide;hydrochloride
CID 119698530
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
N-[3-[(3-aminocyclohexanecarbonyl)amino]propyl]-4-fluorobenzamide;hydrochloride
CID 119782980
4-[(3-aminocyclohexanecarbonyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865091
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 120786959
3-amino-N-[1-(2-fluorophenyl)propan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119722765
3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798267
4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 119726163

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride?
The IUPAC name of 4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride (CID 119718400) is 4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride?
The canonical SMILES for 4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride is Cl.NC1CCCC(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)C1.
What is the InChIKey of 4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride?
The InChIKey is DPBWHSSFZNVIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2.ClH/c22-19-7-2-1-4-16(19)13-24-20(26)14-8-10-18(11-9-14)25-21(27)15-5-3-6-17(23)12-15;/h1-2,4,7-11,15,17H,3,5-6,12-13,23H2,(H,24,26)(H,25,27);1H.
What are the key properties of 4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride?
4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride has a molecular weight of 405.90 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119718400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).