3-chloro-4-dodecoxybenzamide

C19H30ClNO2 — CID 172740881

IUPAC3-chloro-4-dodecoxybenzamide
SMILESCCCCCCCCCCCCOc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C19H30ClNO2/c1-2-3-4-5-6-7-8-9-10-11-14-23-18-13-12-16(19(21)22)15-17(18)20/h12-13,15H,2-11,14H2,1H3,(H2,21,22)
InChIKeyJBULQEPPAYLWBQ-UHFFFAOYSA-N
MW339.91 g/mol
LogP5.74
Rot. Bonds13

About 3-chloro-4-dodecoxybenzamide

3-chloro-4-dodecoxybenzamide (PubChem CID 172740881) has the molecular formula C19H30ClNO2 and a molecular weight of 339.91 g/mol. Its IUPAC name is 3-chloro-4-dodecoxybenzamide.

Molecular Properties

Compound Name3-chloro-4-dodecoxybenzamide
PubChem CID172740881
Molecular FormulaC19H30ClNO2
Molecular Weight339.91 g/mol
Exact Mass339.20
IUPAC Name3-chloro-4-dodecoxybenzamide
SMILESCCCCCCCCCCCCOc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C19H30ClNO2/c1-2-3-4-5-6-7-8-9-10-11-14-23-18-13-12-16(19(21)22)15-17(18)20/h12-13,15H,2-11,14H2,1H3,(H2,21,22)
InChIKeyJBULQEPPAYLWBQ-UHFFFAOYSA-N
XLogP5.74
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.91
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-dodecoxybenzoic acid;hydrochloride
CID 67895180
1-(3-chloro-4-octoxyphenyl)ethanone
CID 55223026
3-amino-4-hexoxybenzamide
CID 43448578
3-amino-4-octoxybenzamide
CID 43448577
4-methoxy-3-pentoxybenzamide
CID 82041442
4-(3-chloro-4-hexadecoxybenzoyl)oxybenzoic acid
CID 91941140
3-amino-4-butoxybenzamide
CID 43448596
4-butoxy-3-methoxybenzamide
CID 47102628
[4-(4-octoxyphenyl)phenyl] 3-chloro-4-pentoxybenzoate
CID 19847048
3-chloro-4-nonoxyaniline
CID 43129005
1-[4-(3-chloro-4-octoxyphenyl)sulfanylphenyl]ethanone
CID 118297057
3-dodecoxynaphthalene-2,7-dicarboxamide
CID 86025040

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-dodecoxybenzamide?
The IUPAC name of 3-chloro-4-dodecoxybenzamide (CID 172740881) is 3-chloro-4-dodecoxybenzamide.
What is the SMILES notation for 3-chloro-4-dodecoxybenzamide?
The canonical SMILES for 3-chloro-4-dodecoxybenzamide is CCCCCCCCCCCCOc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-dodecoxybenzamide?
The InChIKey is JBULQEPPAYLWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClNO2/c1-2-3-4-5-6-7-8-9-10-11-14-23-18-13-12-16(19(21)22)15-17(18)20/h12-13,15H,2-11,14H2,1H3,(H2,21,22).
What are the key properties of 3-chloro-4-dodecoxybenzamide?
3-chloro-4-dodecoxybenzamide has a molecular weight of 339.91 g/mol, XLogP of 5.74, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-dodecoxybenzamide is sourced from PubChem (CID 172740881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).