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

C16H23Cl2N3O3 — CID 120785571

IUPACN-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride
SMILESCl.NC(C(=O)NCCNC(=O)c1ccc(Cl)cc1)C1CCOCC1
InChIInChI=1S/C16H22ClN3O3.ClH/c17-13-3-1-12(2-4-13)15(21)19-7-8-20-16(22)14(18)11-5-9-23-10-6-11;/h1-4,11,14H,5-10,18H2,(H,19,21)(H,20,22);1H
InChIKeyMQTKUTLHKWOBGC-UHFFFAOYSA-N
MW376.28 g/mol
LogP1.36
Rot. Bonds6

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

N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride (PubChem CID 120785571) has the molecular formula C16H23Cl2N3O3 and a molecular weight of 376.28 g/mol. Its IUPAC name is N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride
PubChem CID120785571
Molecular FormulaC16H23Cl2N3O3
Molecular Weight376.28 g/mol
Exact Mass375.11
IUPAC NameN-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride
SMILESCl.NC(C(=O)NCCNC(=O)c1ccc(Cl)cc1)C1CCOCC1
InChIInChI=1S/C16H22ClN3O3.ClH/c17-13-3-1-12(2-4-13)15(21)19-7-8-20-16(22)14(18)11-5-9-23-10-6-11;/h1-4,11,14H,5-10,18H2,(H,19,21)(H,20,22);1H
InChIKeyMQTKUTLHKWOBGC-UHFFFAOYSA-N
XLogP1.36
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-4-chlorobenzamide;hydrochloride
CID 120789553
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 120785624
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-propylbenzamide;hydrochloride
CID 120788869
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-bromobenzamide
CID 120791326
2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787345
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784239
2-amino-N-[(2,4-dichlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783069
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 120786959
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120784240
2-amino-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793827
2-amino-N-[2-(4-tert-butylphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785867
2-amino-N-[[4-(4-chlorophenyl)-2-fluorophenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120795791

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride?
The IUPAC name of N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride (CID 120785571) is N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride?
The canonical SMILES for N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride is Cl.NC(C(=O)NCCNC(=O)c1ccc(Cl)cc1)C1CCOCC1.
What is the InChIKey of N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride?
The InChIKey is MQTKUTLHKWOBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3.ClH/c17-13-3-1-12(2-4-13)15(21)19-7-8-20-16(22)14(18)11-5-9-23-10-6-11;/h1-4,11,14H,5-10,18H2,(H,19,21)(H,20,22);1H.
What are the key properties of N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride?
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride has a molecular weight of 376.28 g/mol, XLogP of 1.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-4-chlorobenzamide;hydrochloride is sourced from PubChem (CID 120785571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).