4-chloro-3-[[2-(2-methoxyethylamino)acetyl]amino]-N-methyl-N-propan-2-ylbenzamide

C16H24ClN3O3 — CID 119759883

IUPAC4-chloro-3-[[2-(2-methoxyethylamino)acetyl]amino]-N-methyl-N-propan-2-ylbenzamide
SMILESCOCCNCC(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl
InChIInChI=1S/C16H24ClN3O3/c1-11(2)20(3)16(22)12-5-6-13(17)14(9-12)19-15(21)10-18-7-8-23-4/h5-6,9,11,18H,7-8,10H2,1-4H3,(H,19,21)
InChIKeyYKDNJEISHJSGJM-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.99
Rot. Bonds8

About 4-chloro-3-[[2-(2-methoxyethylamino)acetyl]amino]-N-methyl-N-propan-2-ylbenzamide

4-chloro-3-[[2-(2-methoxyethylamino)acetyl]amino]-N-methyl-N-propan-2-ylbenzamide (PubChem CID 119759883) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-chloro-3-[[2-(2-methoxyethylamino)acetyl]amino]-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[[2-(2-methoxyethylamino)acetyl]amino]-N-methyl-N-propan-2-ylbenzamide
PubChem CID119759883
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name4-chloro-3-[[2-(2-methoxyethylamino)acetyl]amino]-N-methyl-N-propan-2-ylbenzamide
SMILESCOCCNCC(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl
InChIInChI=1S/C16H24ClN3O3/c1-11(2)20(3)16(22)12-5-6-13(17)14(9-12)19-15(21)10-18-7-8-23-4/h5-6,9,11,18H,7-8,10H2,1-4H3,(H,19,21)
InChIKeyYKDNJEISHJSGJM-UHFFFAOYSA-N
XLogP1.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 103808635
3-(3-aminopropanoylamino)-4-chloro-N-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 119309782
4-chloro-3-[[2-(4-methoxybutylamino)acetyl]amino]benzoic acid
CID 103244317
N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281493
methyl 4-chloro-3-[[2-[3-(dimethylamino)propylamino]acetyl]amino]benzoate
CID 108995150
4-chloro-3-[[2-(2-ethoxyethylamino)acetyl]amino]benzoic acid
CID 103230103
4-[[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]carbamoylamino]butanoic acid
CID 122079613
3-[[2-(2-methoxyethylamino)acetyl]amino]-4-methylbenzamide
CID 119711741
methyl 4-chloro-3-[[2-(2-ethylbutanoylamino)acetyl]amino]benzoate
CID 113000001
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383
5-chloro-2-methoxy-4-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 79271305

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[2-(2-methoxyethylamino)acetyl]amino]-N-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-chloro-3-[[2-(2-methoxyethylamino)acetyl]amino]-N-methyl-N-propan-2-ylbenzamide (CID 119759883) is 4-chloro-3-[[2-(2-methoxyethylamino)acetyl]amino]-N-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-chloro-3-[[2-(2-methoxyethylamino)acetyl]amino]-N-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-chloro-3-[[2-(2-methoxyethylamino)acetyl]amino]-N-methyl-N-propan-2-ylbenzamide is COCCNCC(=O)Nc1cc(C(=O)N(C)C(C)C)ccc1Cl.
What is the InChIKey of 4-chloro-3-[[2-(2-methoxyethylamino)acetyl]amino]-N-methyl-N-propan-2-ylbenzamide?
The InChIKey is YKDNJEISHJSGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3/c1-11(2)20(3)16(22)12-5-6-13(17)14(9-12)19-15(21)10-18-7-8-23-4/h5-6,9,11,18H,7-8,10H2,1-4H3,(H,19,21).
What are the key properties of 4-chloro-3-[[2-(2-methoxyethylamino)acetyl]amino]-N-methyl-N-propan-2-ylbenzamide?
4-chloro-3-[[2-(2-methoxyethylamino)acetyl]amino]-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 341.84 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[2-(2-methoxyethylamino)acetyl]amino]-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 119759883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).