4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide

C15H22ClN3O3 — CID 119712122

IUPAC4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)CNCCOC
InChIInChI=1S/C15H22ClN3O3/c1-3-6-18-15(21)12-5-4-11(16)9-13(12)19-14(20)10-17-7-8-22-2/h4-5,9,17H,3,6-8,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySOACOWQXFQLVAI-UHFFFAOYSA-N
MW327.81 g/mol
LogP1.65
Rot. Bonds9

About 4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide

4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide (PubChem CID 119712122) has the molecular formula C15H22ClN3O3 and a molecular weight of 327.81 g/mol. Its IUPAC name is 4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide
PubChem CID119712122
Molecular FormulaC15H22ClN3O3
Molecular Weight327.81 g/mol
Exact Mass327.13
IUPAC Name4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Cl)cc1NC(=O)CNCCOC
InChIInChI=1S/C15H22ClN3O3/c1-3-6-18-15(21)12-5-4-11(16)9-13(12)19-14(20)10-17-7-8-22-2/h4-5,9,17H,3,6-8,10H2,1-2H3,(H,18,21)(H,19,20)
InChIKeySOACOWQXFQLVAI-UHFFFAOYSA-N
XLogP1.65
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 51.65
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-chloro-2-[[2-(cyclopropylmethylamino)acetyl]amino]-N-propylbenzamide
CID 119712108
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383
N-(5-chloro-2-ethylsulfanylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119776586
5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119711773
4-chloro-2-[[2-(4-chloroanilino)-2-oxoethyl]amino]-N-propylbenzamide
CID 55917656
4-chloro-2-[3-[(4-chlorobenzoyl)amino]propanoylamino]-N-propylbenzamide
CID 51121398
2-(4-aminobutanoylamino)-4-chloro-N-propylbenzamide;hydrochloride
CID 119283149
2-methoxyethyl 5-[[5-chloro-2-(propylcarbamoyl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55896504
5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide;hydrochloride
CID 119711772
4-chloro-N-(2-methoxyethyl)-2-[(2-methylbenzoyl)amino]benzamide
CID 175979155
4-[5-chloro-2-(propylcarbamoyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133655
4-chloro-2-[4-(methylamino)butanoylamino]-N-propylbenzamide;hydrochloride
CID 119712093

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide?
The IUPAC name of 4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide (CID 119712122) is 4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(Cl)cc1NC(=O)CNCCOC.
What is the InChIKey of 4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide?
The InChIKey is SOACOWQXFQLVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3/c1-3-6-18-15(21)12-5-4-11(16)9-13(12)19-14(20)10-17-7-8-22-2/h4-5,9,17H,3,6-8,10H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide?
4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide has a molecular weight of 327.81 g/mol, XLogP of 1.65, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-(2-methoxyethylamino)acetyl]amino]-N-propylbenzamide is sourced from PubChem (CID 119712122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).