2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride

C12H17Cl2N3O3 — CID 119711591

IUPAC2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(Cl)c(C(N)=O)c1.Cl
InChIInChI=1S/C12H16ClN3O3.ClH/c1-19-5-4-15-7-11(17)16-8-2-3-10(13)9(6-8)12(14)18;/h2-3,6,15H,4-5,7H2,1H3,(H2,14,18)(H,16,17);1H
InChIKeySPHPUMOIHOCCTN-UHFFFAOYSA-N
MW322.19 g/mol
LogP1.04
Rot. Bonds7

About 2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride

2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride (PubChem CID 119711591) has the molecular formula C12H17Cl2N3O3 and a molecular weight of 322.19 g/mol. Its IUPAC name is 2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
PubChem CID119711591
Molecular FormulaC12H17Cl2N3O3
Molecular Weight322.19 g/mol
Exact Mass321.06
IUPAC Name2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(Cl)c(C(N)=O)c1.Cl
InChIInChI=1S/C12H16ClN3O3.ClH/c1-19-5-4-15-7-11(17)16-8-2-3-10(13)9(6-8)12(14)18;/h2-3,6,15H,4-5,7H2,1H3,(H2,14,18)(H,16,17);1H
InChIKeySPHPUMOIHOCCTN-UHFFFAOYSA-N
XLogP1.04
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 51.04
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

2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 79281641
5-[[2-(2-methoxyethylamino)acetyl]amino]-N,N,2-trimethylbenzamide;hydrochloride
CID 119808622
N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 75423665
N-(3-chlorophenyl)-2-(2-methoxyethylamino)acetamide
CID 28565603
N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281917
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 78910804
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119679914
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 79281170
2-(2-methoxyethylamino)-N-pyridin-4-ylacetamide;dihydrochloride
CID 119827132
N-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide
CID 119779724
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79291207

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride?
The IUPAC name of 2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride (CID 119711591) is 2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride?
The canonical SMILES for 2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride is COCCNCC(=O)Nc1ccc(Cl)c(C(N)=O)c1.Cl.
What is the InChIKey of 2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride?
The InChIKey is SPHPUMOIHOCCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3.ClH/c1-19-5-4-15-7-11(17)16-8-2-3-10(13)9(6-8)12(14)18;/h2-3,6,15H,4-5,7H2,1H3,(H2,14,18)(H,16,17);1H.
What are the key properties of 2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride?
2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride has a molecular weight of 322.19 g/mol, XLogP of 1.04, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride is sourced from PubChem (CID 119711591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).