N-(3,4-dichlorophenyl)-4-hexoxybenzamide

C19H21Cl2NO2 — CID 4933556

IUPACN-(3,4-dichlorophenyl)-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H21Cl2NO2/c1-2-3-4-5-12-24-16-9-6-14(7-10-16)19(23)22-15-8-11-17(20)18(21)13-15/h6-11,13H,2-5,12H2,1H3,(H,22,23)
InChIKeyDHLRPEPQDZQNBH-UHFFFAOYSA-N
MW366.29 g/mol
LogP6.20
Rot. Bonds8

About N-(3,4-dichlorophenyl)-4-hexoxybenzamide

N-(3,4-dichlorophenyl)-4-hexoxybenzamide (PubChem CID 4933556) has the molecular formula C19H21Cl2NO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-hexoxybenzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-hexoxybenzamide
PubChem CID4933556
Molecular FormulaC19H21Cl2NO2
Molecular Weight366.29 g/mol
Exact Mass365.09
IUPAC NameN-(3,4-dichlorophenyl)-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H21Cl2NO2/c1-2-3-4-5-12-24-16-9-6-14(7-10-16)19(23)22-15-8-11-17(20)18(21)13-15/h6-11,13H,2-5,12H2,1H3,(H,22,23)
InChIKeyDHLRPEPQDZQNBH-UHFFFAOYSA-N
XLogP6.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.29
LogP ≤ 56.20
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

N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide
CID 4950672
N-(3,5-dichlorophenyl)-4-hexoxybenzamide
CID 4933557
N-(3,5-dichlorophenyl)-4-heptoxybenzamide
CID 4950610
N-(3-chlorophenyl)-4-pentoxybenzamide
CID 4934948
N-[2-chloro-5-(propanoylamino)phenyl]-4-pentoxybenzamide
CID 55799104
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
4-butoxy-N-(2-chloro-4-pyridinyl)benzamide
CID 103606840
N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide
CID 91741143
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-hexoxybenzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-hexoxybenzamide (CID 4933556) is N-(3,4-dichlorophenyl)-4-hexoxybenzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-hexoxybenzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-hexoxybenzamide is CCCCCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-hexoxybenzamide?
The InChIKey is DHLRPEPQDZQNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO2/c1-2-3-4-5-12-24-16-9-6-14(7-10-16)19(23)22-15-8-11-17(20)18(21)13-15/h6-11,13H,2-5,12H2,1H3,(H,22,23).
What are the key properties of N-(3,4-dichlorophenyl)-4-hexoxybenzamide?
N-(3,4-dichlorophenyl)-4-hexoxybenzamide has a molecular weight of 366.29 g/mol, XLogP of 6.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-hexoxybenzamide is sourced from PubChem (CID 4933556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).