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

C20H23Cl2NO2 — CID 4950610

IUPACN-(3,5-dichlorophenyl)-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C20H23Cl2NO2/c1-2-3-4-5-6-11-25-19-9-7-15(8-10-19)20(24)23-18-13-16(21)12-17(22)14-18/h7-10,12-14H,2-6,11H2,1H3,(H,23,24)
InChIKeyWAMUVEGAJBMHBY-UHFFFAOYSA-N
MW380.32 g/mol
LogP6.59
Rot. Bonds9

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

N-(3,5-dichlorophenyl)-4-heptoxybenzamide (PubChem CID 4950610) has the molecular formula C20H23Cl2NO2 and a molecular weight of 380.32 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-heptoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-heptoxybenzamide
PubChem CID4950610
Molecular FormulaC20H23Cl2NO2
Molecular Weight380.32 g/mol
Exact Mass379.11
IUPAC NameN-(3,5-dichlorophenyl)-4-heptoxybenzamide
SMILESCCCCCCCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C20H23Cl2NO2/c1-2-3-4-5-6-11-25-19-9-7-15(8-10-19)20(24)23-18-13-16(21)12-17(22)14-18/h7-10,12-14H,2-6,11H2,1H3,(H,23,24)
InChIKeyWAMUVEGAJBMHBY-UHFFFAOYSA-N
XLogP6.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.32
LogP ≤ 56.59
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-hexoxybenzamide
CID 4933557
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
N-(3-chlorophenyl)-4-propoxybenzamide
CID 4938336
4-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17218814
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-heptoxybenzamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-heptoxybenzamide (CID 4950610) is N-(3,5-dichlorophenyl)-4-heptoxybenzamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-heptoxybenzamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-heptoxybenzamide is CCCCCCCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-heptoxybenzamide?
The InChIKey is WAMUVEGAJBMHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO2/c1-2-3-4-5-6-11-25-19-9-7-15(8-10-19)20(24)23-18-13-16(21)12-17(22)14-18/h7-10,12-14H,2-6,11H2,1H3,(H,23,24).
What are the key properties of N-(3,5-dichlorophenyl)-4-heptoxybenzamide?
N-(3,5-dichlorophenyl)-4-heptoxybenzamide has a molecular weight of 380.32 g/mol, XLogP of 6.59, 9 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-heptoxybenzamide is sourced from PubChem (CID 4950610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).