4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide

C21H24FN3O3 — CID 120786924

IUPAC4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide
SMILESNC(C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1)C1CCOCC1
InChIInChI=1S/C21H24FN3O3/c22-17-5-1-14(2-6-17)13-24-20(26)16-3-7-18(8-4-16)25-21(27)19(23)15-9-11-28-12-10-15/h1-8,15,19H,9-13,23H2,(H,24,26)(H,25,27)
InChIKeyVGHFAYZHYREHCV-UHFFFAOYSA-N
MW385.44 g/mol
LogP2.45
Rot. Bonds6

About 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide

4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide (PubChem CID 120786924) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide
PubChem CID120786924
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide
SMILESNC(C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1)C1CCOCC1
InChIInChI=1S/C21H24FN3O3/c22-17-5-1-14(2-6-17)13-24-20(26)16-3-7-18(8-4-16)25-21(27)19(23)15-9-11-28-12-10-15/h1-8,15,19H,9-13,23H2,(H,24,26)(H,25,27)
InChIKeyVGHFAYZHYREHCV-UHFFFAOYSA-N
XLogP2.45
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 120786959
N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
CID 120792716
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
CID 120788869
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
methyl 3-[[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]benzoyl]amino]propanoate
CID 120785396
4-(aminomethyl)-N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxane-4-carboxamide;hydrochloride
CID 120923512
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride
CID 120789553
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]oxolane-3-carboxamide
CID 71918324
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 120786530
N-[4-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 120799443
N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 4198331
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120782841

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide (CID 120786924) is 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide is NC(C(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1)C1CCOCC1.
What is the InChIKey of 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide?
The InChIKey is VGHFAYZHYREHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c22-17-5-1-14(2-6-17)13-24-20(26)16-3-7-18(8-4-16)25-21(27)19(23)15-9-11-28-12-10-15/h1-8,15,19H,9-13,23H2,(H,24,26)(H,25,27).
What are the key properties of 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide?
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide has a molecular weight of 385.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 120786924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).