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

C16H23Cl2N3O3 — CID 119711772

IUPAC5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1.Cl
InChIInChI=1S/C16H22ClN3O3.ClH/c1-23-7-6-18-10-15(21)20-14-5-4-12(17)8-13(14)16(22)19-9-11-2-3-11;/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyMIYZOVIKUPZEKS-UHFFFAOYSA-N
MW376.28 g/mol
LogP2.08
Rot. Bonds9

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

5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride (PubChem CID 119711772) has the molecular formula C16H23Cl2N3O3 and a molecular weight of 376.28 g/mol. Its IUPAC name is 5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
PubChem CID119711772
Molecular FormulaC16H23Cl2N3O3
Molecular Weight376.28 g/mol
Exact Mass375.11
IUPAC Name5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
SMILESCOCCNCC(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1.Cl
InChIInChI=1S/C16H22ClN3O3.ClH/c1-23-7-6-18-10-15(21)20-14-5-4-12(17)8-13(14)16(22)19-9-11-2-3-11;/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyMIYZOVIKUPZEKS-UHFFFAOYSA-N
XLogP2.08
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 52.08
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

5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119711773
5-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethylbenzamide;hydrochloride
CID 119770124
4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide
CID 119712122
4-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide
CID 119712108
5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383
ethyl (Z)-4-[4-chloro-2-(cyclopropylmethylcarbamoyl)anilino]-4-oxobut-2-enoate
CID 66921446
N-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119776586
N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide
CID 54828800
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
2-(2-aminopentanoylamino)-5-chloro-N-(cyclopropylmethyl)benzamide
CID 119282987
5-chloro-N-(cyclobutylmethyl)-2-(methanesulfonamido)benzamide
CID 49194436

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride?
The IUPAC name of 5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride (CID 119711772) is 5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride.
What is the SMILES notation for 5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride?
The canonical SMILES for 5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride is COCCNCC(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1.Cl.
What is the InChIKey of 5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride?
The InChIKey is MIYZOVIKUPZEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3.ClH/c1-23-7-6-18-10-15(21)20-14-5-4-12(17)8-13(14)16(22)19-9-11-2-3-11;/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3,(H,19,22)(H,20,21);1H.
What are the key properties of 5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride?
5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride has a molecular weight of 376.28 g/mol, XLogP of 2.08, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride is sourced from PubChem (CID 119711772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).