4-butoxybenzamide;ethyl carbonochloridate

C14H20ClNO4 — CID 174486229

IUPAC4-butoxybenzamide;ethyl carbonochloridate
SMILESCCCCOc1ccc(C(N)=O)cc1.CCOC(=O)Cl
InChIInChI=1S/C11H15NO2.C3H5ClO2/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13;1-2-6-3(4)5/h4-7H,2-3,8H2,1H3,(H2,12,13);2H2,1H3
InChIKeyFXZUVYKEIWHGJO-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.35
Rot. Bonds6

About 4-butoxybenzamide;ethyl carbonochloridate

4-butoxybenzamide;ethyl carbonochloridate (PubChem CID 174486229) has the molecular formula C14H20ClNO4 and a molecular weight of 301.77 g/mol. Its IUPAC name is 4-butoxybenzamide;ethyl carbonochloridate.

Molecular Properties

Compound Name4-butoxybenzamide;ethyl carbonochloridate
PubChem CID174486229
Molecular FormulaC14H20ClNO4
Molecular Weight301.77 g/mol
Exact Mass301.11
IUPAC Name4-butoxybenzamide;ethyl carbonochloridate
SMILESCCCCOc1ccc(C(N)=O)cc1.CCOC(=O)Cl
InChIInChI=1S/C11H15NO2.C3H5ClO2/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13;1-2-6-3(4)5/h4-7H,2-3,8H2,1H3,(H2,12,13);2H2,1H3
InChIKeyFXZUVYKEIWHGJO-UHFFFAOYSA-N
XLogP3.35
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-propoxyphenyl)benzamide
CID 23771495
benzamide;ethyl carbonochloridate;hydrochloride
CID 174390729
ethyl 4-decoxybenzoate
CID 3706251
ethyl 4-octoxybenzoate
CID 18955745
ethyl 4-(4-butoxybenzoyl)benzoate
CID 70804443
4-[(4-propoxyphenoxy)methyl]benzamide
CID 24605968
4-(4-ethoxyphenyl)benzamide
CID 163572533
ethyl 4-(4-pentoxyphenyl)benzoate
CID 70928367
(4-butoxybenzoyl)-methanidylazanium
CID 59280565
propyl 4-butoxybenzoate
CID 43389566
2-(4-butoxyphenoxy)acetamide
CID 22974475
4-[2-(2-chloroethoxy)ethoxy]benzamide
CID 63664208

Frequently Asked Questions

What is the IUPAC name of 4-butoxybenzamide;ethyl carbonochloridate?
The IUPAC name of 4-butoxybenzamide;ethyl carbonochloridate (CID 174486229) is 4-butoxybenzamide;ethyl carbonochloridate.
What is the SMILES notation for 4-butoxybenzamide;ethyl carbonochloridate?
The canonical SMILES for 4-butoxybenzamide;ethyl carbonochloridate is CCCCOc1ccc(C(N)=O)cc1.CCOC(=O)Cl.
What is the InChIKey of 4-butoxybenzamide;ethyl carbonochloridate?
The InChIKey is FXZUVYKEIWHGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C3H5ClO2/c1-2-3-8-14-10-6-4-9(5-7-10)11(12)13;1-2-6-3(4)5/h4-7H,2-3,8H2,1H3,(H2,12,13);2H2,1H3.
What are the key properties of 4-butoxybenzamide;ethyl carbonochloridate?
4-butoxybenzamide;ethyl carbonochloridate has a molecular weight of 301.77 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxybenzamide;ethyl carbonochloridate is sourced from PubChem (CID 174486229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).