4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide

C13H17ClN2O3 — CID 18169010

IUPAC4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide
SMILESCCONC(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3/c1-2-19-16-12(17)4-3-9-15-13(18)10-5-7-11(14)8-6-10/h5-8H,2-4,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyXLNYCTQUWSPWBP-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.92
Rot. Bonds7

About 4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide

4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide (PubChem CID 18169010) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is 4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide
PubChem CID18169010
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide
SMILESCCONC(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClN2O3/c1-2-19-16-12(17)4-3-9-15-13(18)10-5-7-11(14)8-6-10/h5-8H,2-4,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyXLNYCTQUWSPWBP-UHFFFAOYSA-N
XLogP1.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 4795054
4-chloro-N-[4-(cyclopropylmethylamino)-4-oxobutyl]benzamide
CID 46541860
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
CID 3606775
4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride
CID 119703400
3-[4-[(4-chlorobenzoyl)amino]butanoylamino]-2-methylpropanoic acid
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4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide
CID 30481575
4-chloro-N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]benzamide
CID 18161035
4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide
CID 134058645
N-[4-(4-chloroanilino)-4-oxobutyl]-3,4,5-triethoxybenzamide
CID 55862973
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466
4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 9439469
4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
CID 26903822

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide (CID 18169010) is 4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide is CCONC(=O)CCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide?
The InChIKey is XLNYCTQUWSPWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-2-19-16-12(17)4-3-9-15-13(18)10-5-7-11(14)8-6-10/h5-8H,2-4,9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide?
4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide has a molecular weight of 284.74 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(ethoxyamino)-4-oxobutyl]benzamide is sourced from PubChem (CID 18169010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).