4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide

C19H22ClN3O3 — CID 54832614

IUPAC4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)CNCc2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClN3O3/c1-26-11-10-22-19(25)14-6-8-16(9-7-14)23-18(24)13-21-12-15-4-2-3-5-17(15)20/h2-9,21H,10-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyZVWOQUKNOVFDNN-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.44
Rot. Bonds9

About 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide

4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide (PubChem CID 54832614) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide
PubChem CID54832614
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(NC(=O)CNCc2ccccc2Cl)cc1
InChIInChI=1S/C19H22ClN3O3/c1-26-11-10-22-19(25)14-6-8-16(9-7-14)23-18(24)13-21-12-15-4-2-3-5-17(15)20/h2-9,21H,10-13H2,1H3,(H,22,25)(H,23,24)
InChIKeyZVWOQUKNOVFDNN-UHFFFAOYSA-N
XLogP2.44
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.44
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-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836241
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54832397
N-(2-methoxyethyl)-4-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 26163515
N-[(2-fluorophenyl)methyl]-4-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119718423
2-chloro-N-[4-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218190
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N,N-diethylbenzamide
CID 54832867
N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(2-methoxyethylamino)acetamide
CID 119738642
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218233
3-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-propylbenzamide
CID 54832679
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836640
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533
4-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836074

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide (CID 54832614) is 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(NC(=O)CNCc2ccccc2Cl)cc1.
What is the InChIKey of 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
The InChIKey is ZVWOQUKNOVFDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-26-11-10-22-19(25)14-6-8-16(9-7-14)23-18(24)13-21-12-15-4-2-3-5-17(15)20/h2-9,21H,10-13H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide?
4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide has a molecular weight of 375.86 g/mol, XLogP of 2.44, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(2-chlorophenyl)methylamino]acetyl]amino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 54832614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).