N-(3,5-dichlorophenyl)-4-hexoxybenzamide

C19H21Cl2NO2 — CID 4933557

IUPACN-(3,5-dichlorophenyl)-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C19H21Cl2NO2/c1-2-3-4-5-10-24-18-8-6-14(7-9-18)19(23)22-17-12-15(20)11-16(21)13-17/h6-9,11-13H,2-5,10H2,1H3,(H,22,23)
InChIKeyWQRNZTIIJFHDKJ-UHFFFAOYSA-N
MW366.29 g/mol
LogP6.20
Rot. Bonds8

About N-(3,5-dichlorophenyl)-4-hexoxybenzamide

N-(3,5-dichlorophenyl)-4-hexoxybenzamide (PubChem CID 4933557) has the molecular formula C19H21Cl2NO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-hexoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-hexoxybenzamide
PubChem CID4933557
Molecular FormulaC19H21Cl2NO2
Molecular Weight366.29 g/mol
Exact Mass365.09
IUPAC NameN-(3,5-dichlorophenyl)-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C19H21Cl2NO2/c1-2-3-4-5-10-24-18-8-6-14(7-9-18)19(23)22-17-12-15(20)11-16(21)13-17/h6-9,11-13H,2-5,10H2,1H3,(H,22,23)
InChIKeyWQRNZTIIJFHDKJ-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-(3,5-dichlorophenyl)-4-heptoxybenzamide
CID 4950610
N-(3-chlorophenyl)-4-pentoxybenzamide
CID 4934948
N-(3,5-dihydroxyphenyl)-4-dodecoxybenzamide
CID 91741143
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide
CID 4950672
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
N-(3-chlorophenyl)-4-propoxybenzamide
CID 4938336
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-hexoxybenzamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-hexoxybenzamide (CID 4933557) is N-(3,5-dichlorophenyl)-4-hexoxybenzamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-hexoxybenzamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-hexoxybenzamide is CCCCCCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-hexoxybenzamide?
The InChIKey is WQRNZTIIJFHDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO2/c1-2-3-4-5-10-24-18-8-6-14(7-9-18)19(23)22-17-12-15(20)11-16(21)13-17/h6-9,11-13H,2-5,10H2,1H3,(H,22,23).
What are the key properties of N-(3,5-dichlorophenyl)-4-hexoxybenzamide?
N-(3,5-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-(3,5-dichlorophenyl)-4-hexoxybenzamide is sourced from PubChem (CID 4933557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).