5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide

C16H25ClN2O2 — CID 103529977

IUPAC5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCCCCOC(C)C
InChIInChI=1S/C16H25ClN2O2/c1-4-18-15-8-7-13(17)11-14(15)16(20)19-9-5-6-10-21-12(2)3/h7-8,11-12,18H,4-6,9-10H2,1-3H3,(H,19,20)
InChIKeyOEEQHAWRATVMAS-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.71
Rot. Bonds9

About 5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide

5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide (PubChem CID 103529977) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide
PubChem CID103529977
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Name5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)NCCCCOC(C)C
InChIInChI=1S/C16H25ClN2O2/c1-4-18-15-8-7-13(17)11-14(15)16(20)19-9-5-6-10-21-12(2)3/h7-8,11-12,18H,4-6,9-10H2,1-3H3,(H,19,20)
InChIKeyOEEQHAWRATVMAS-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-propan-2-yloxyethyl)-2-(propylamino)benzamide
CID 104765587
5-chloro-2-(ethylamino)-N-(5-methylsulfanylpentyl)benzamide
CID 103529986
5-chloro-2-(4-propan-2-yloxybutylamino)benzenecarbothioamide
CID 106010192
2-(ethylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 113450457
5-chloro-2-(ethylamino)-N-[3-[ethylsulfonyl(methyl)amino]propyl]benzamide
CID 91652973
4-[2-[[5-chloro-2-(ethylamino)benzoyl]amino]ethyl]benzoic acid
CID 70530914
5-chloro-N-(cyclopropylmethyl)-2-(ethylamino)benzamide
CID 62173260
5-chloro-2-(ethylamino)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64523585
5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
5-chloro-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(ethylamino)benzamide
CID 62978216
5-chloro-N-(2-methylpropyl)-2-(propylamino)benzamide
CID 55042884

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide?
The IUPAC name of 5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide (CID 103529977) is 5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide.
What is the SMILES notation for 5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide?
The canonical SMILES for 5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide is CCNc1ccc(Cl)cc1C(=O)NCCCCOC(C)C.
What is the InChIKey of 5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide?
The InChIKey is OEEQHAWRATVMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2/c1-4-18-15-8-7-13(17)11-14(15)16(20)19-9-5-6-10-21-12(2)3/h7-8,11-12,18H,4-6,9-10H2,1-3H3,(H,19,20).
What are the key properties of 5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide?
5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide has a molecular weight of 312.84 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(ethylamino)-N-(4-propan-2-yloxybutyl)benzamide is sourced from PubChem (CID 103529977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).