4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride

C16H23Cl2N3O3 — CID 119737826

IUPAC4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
SMILESCOCCNC(=O)c1ccc(NC(=O)C2CCC(N)C2)cc1Cl.Cl
InChIInChI=1S/C16H22ClN3O3.ClH/c1-23-7-6-19-16(22)13-5-4-12(9-14(13)17)20-15(21)10-2-3-11(18)8-10;/h4-5,9-11H,2-3,6-8,18H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyCCGHUXJOFOFPBG-UHFFFAOYSA-N
MW376.28 g/mol
LogP2.20
Rot. Bonds6

About 4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride

4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride (PubChem CID 119737826) has the molecular formula C16H23Cl2N3O3 and a molecular weight of 376.28 g/mol. Its IUPAC name is 4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
PubChem CID119737826
Molecular FormulaC16H23Cl2N3O3
Molecular Weight376.28 g/mol
Exact Mass375.11
IUPAC Name4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
SMILESCOCCNC(=O)c1ccc(NC(=O)C2CCC(N)C2)cc1Cl.Cl
InChIInChI=1S/C16H22ClN3O3.ClH/c1-23-7-6-19-16(22)13-5-4-12(9-14(13)17)20-15(21)10-2-3-11(18)8-10;/h4-5,9-11H,2-3,6-8,18H2,1H3,(H,19,22)(H,20,21);1H
InChIKeyCCGHUXJOFOFPBG-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
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

4-[(3-aminocyclopentanecarbonyl)amino]-2-chlorobenzamide;hydrochloride
CID 119711657
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 51121271
3-amino-N-(3-chloro-4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030670
3-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]cyclohexane-1-carboxamide
CID 119739551
N-(4-acetamido-3-chlorophenyl)-3-aminocyclopentane-1-carboxamide;hydrochloride
CID 119700272
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119713023
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
3-amino-N-[3-chloro-4-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 66008946
5-[(3-aminocyclopentanecarbonyl)amino]-2-methylbenzamide;hydrochloride
CID 119771531
4-[(3-amino-3-phenylpropanoyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride
CID 119950265
5-[(3-aminocyclopentanecarbonyl)amino]-N-benzyl-2-chloro-N-ethylbenzamide;hydrochloride
CID 119731750
cis-(1R,3S)-3-amino-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide
CID 133116598

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride?
The IUPAC name of 4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride (CID 119737826) is 4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride?
The canonical SMILES for 4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride is COCCNC(=O)c1ccc(NC(=O)C2CCC(N)C2)cc1Cl.Cl.
What is the InChIKey of 4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride?
The InChIKey is CCGHUXJOFOFPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3.ClH/c1-23-7-6-19-16(22)13-5-4-12(9-14(13)17)20-15(21)10-2-3-11(18)8-10;/h4-5,9-11H,2-3,6-8,18H2,1H3,(H,19,22)(H,20,21);1H.
What are the key properties of 4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride?
4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride has a molecular weight of 376.28 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminocyclopentanecarbonyl)amino]-2-chloro-N-(2-methoxyethyl)benzamide;hydrochloride is sourced from PubChem (CID 119737826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).