N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride

C20H23Cl2N3O3 — CID 120789553

IUPACN-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride
SMILESCl.NC(C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C1CCOCC1
InChIInChI=1S/C20H22ClN3O3.ClH/c21-15-3-1-14(2-4-15)19(25)23-16-5-7-17(8-6-16)24-20(26)18(22)13-9-11-27-12-10-13;/h1-8,13,18H,9-12,22H2,(H,23,25)(H,24,26);1H
InChIKeyAFYAHDXBFSTJEH-UHFFFAOYSA-N
MW424.33 g/mol
LogP3.71
Rot. Bonds5

About N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride

N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride (PubChem CID 120789553) has the molecular formula C20H23Cl2N3O3 and a molecular weight of 424.33 g/mol. Its IUPAC name is N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride
PubChem CID120789553
Molecular FormulaC20H23Cl2N3O3
Molecular Weight424.33 g/mol
Exact Mass423.11
IUPAC NameN-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride
SMILESCl.NC(C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C1CCOCC1
InChIInChI=1S/C20H22ClN3O3.ClH/c21-15-3-1-14(2-4-15)19(25)23-16-5-7-17(8-6-16)24-20(26)18(22)13-9-11-27-12-10-13;/h1-8,13,18H,9-12,22H2,(H,23,25)(H,24,26);1H
InChIKeyAFYAHDXBFSTJEH-UHFFFAOYSA-N
XLogP3.71
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.33
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120782841
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride
CID 120785571
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 120786530
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
CID 120788869
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 120786959
2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 120786924
methyl 3-[[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]benzoyl]amino]propanoate
CID 120785396
2-amino-N-[3-(4-chlorophenyl)sulfanylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795787
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide;hydrochloride
CID 120785655
N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785529

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride?
The IUPAC name of N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride (CID 120789553) is N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride.
What is the SMILES notation for N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride?
The canonical SMILES for N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride is Cl.NC(C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1)C1CCOCC1.
What is the InChIKey of N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride?
The InChIKey is AFYAHDXBFSTJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3.ClH/c21-15-3-1-14(2-4-15)19(25)23-16-5-7-17(8-6-16)24-20(26)18(22)13-9-11-27-12-10-13;/h1-8,13,18H,9-12,22H2,(H,23,25)(H,24,26);1H.
What are the key properties of N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride?
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride has a molecular weight of 424.33 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride is sourced from PubChem (CID 120789553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).