5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide

C16H23Cl2N3O3 — CID 4551644

IUPAC5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)C(Cl)Cl)ccc1N(C)C
InChIInChI=1S/C16H23Cl2N3O3/c1-4-24-9-5-8-19-15(22)12-10-11(20-16(23)14(17)18)6-7-13(12)21(2)3/h6-7,10,14H,4-5,8-9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyKWWKSGPPWQEHEB-UHFFFAOYSA-N
MW376.28 g/mol
LogP2.65
Rot. Bonds9

About 5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide

5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide (PubChem CID 4551644) has the molecular formula C16H23Cl2N3O3 and a molecular weight of 376.28 g/mol. Its IUPAC name is 5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide
PubChem CID4551644
Molecular FormulaC16H23Cl2N3O3
Molecular Weight376.28 g/mol
Exact Mass375.11
IUPAC Name5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)C(Cl)Cl)ccc1N(C)C
InChIInChI=1S/C16H23Cl2N3O3/c1-4-24-9-5-8-19-15(22)12-10-11(20-16(23)14(17)18)6-7-13(12)21(2)3/h6-7,10,14H,4-5,8-9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyKWWKSGPPWQEHEB-UHFFFAOYSA-N
XLogP2.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-(3-ethoxypropyl)-5-(naphthalen-1-ylcarbamoylamino)benzamide
CID 42747988
2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide
CID 7356631
2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide
CID 7230247
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 4002462
5-(cyclopropanecarbonylamino)-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 42747574
2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide
CID 3535205
5-[[(2R)-2-chloropropanoyl]amino]-N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 7306724
5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 3667525
5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N-(2-phenylethyl)benzamide
CID 1063339
2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide
CID 7356424
2-(dimethylamino)-5-(2-phenylbutanoylamino)-N-propylbenzamide
CID 42747373
5-[[(2S)-2-chloropropanoyl]amino]-2-(dimethylamino)-N,N-diethylbenzamide
CID 771591

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide (CID 4551644) is 5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1cc(NC(=O)C(Cl)Cl)ccc1N(C)C.
What is the InChIKey of 5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide?
The InChIKey is KWWKSGPPWQEHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2N3O3/c1-4-24-9-5-8-19-15(22)12-10-11(20-16(23)14(17)18)6-7-13(12)21(2)3/h6-7,10,14H,4-5,8-9H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide?
5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide has a molecular weight of 376.28 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dichloroacetyl)amino]-2-(dimethylamino)-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 4551644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).