N-(3-chlorophenyl)-4-pentoxybenzamide

C18H20ClNO2 — CID 4934948

IUPACN-(3-chlorophenyl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO2/c1-2-3-4-12-22-17-10-8-14(9-11-17)18(21)20-16-7-5-6-15(19)13-16/h5-11,13H,2-4,12H2,1H3,(H,20,21)
InChIKeyCUNVKPQXTIXKAY-UHFFFAOYSA-N
MW317.82 g/mol
LogP5.16
Rot. Bonds7

About N-(3-chlorophenyl)-4-pentoxybenzamide

N-(3-chlorophenyl)-4-pentoxybenzamide (PubChem CID 4934948) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-pentoxybenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-pentoxybenzamide
PubChem CID4934948
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-(3-chlorophenyl)-4-pentoxybenzamide
SMILESCCCCCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C18H20ClNO2/c1-2-3-4-12-22-17-10-8-14(9-11-17)18(21)20-16-7-5-6-15(19)13-16/h5-11,13H,2-4,12H2,1H3,(H,20,21)
InChIKeyCUNVKPQXTIXKAY-UHFFFAOYSA-N
XLogP5.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.82
LogP ≤ 55.16
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-chlorophenyl)-4-propoxybenzamide
CID 4938336
N-(3,5-dichlorophenyl)-4-heptoxybenzamide
CID 4950610
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
N-(3,5-dichlorophenyl)-4-hexoxybenzamide
CID 4933557
3-chloro-N-(3-hexoxyphenyl)benzamide
CID 17094792
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
1-N,4-N-bis(3-hexoxyphenyl)benzene-1,4-dicarboxamide
CID 17094971
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123562
N-(3-cyanophenyl)-4-pentoxybenzamide
CID 4935007
3,5-dichloro-N-(3-chlorophenyl)-4-heptoxybenzamide
CID 18848533
N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-pentoxybenzamide?
The IUPAC name of N-(3-chlorophenyl)-4-pentoxybenzamide (CID 4934948) is N-(3-chlorophenyl)-4-pentoxybenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-pentoxybenzamide?
The canonical SMILES for N-(3-chlorophenyl)-4-pentoxybenzamide is CCCCCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-pentoxybenzamide?
The InChIKey is CUNVKPQXTIXKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-2-3-4-12-22-17-10-8-14(9-11-17)18(21)20-16-7-5-6-15(19)13-16/h5-11,13H,2-4,12H2,1H3,(H,20,21).
What are the key properties of N-(3-chlorophenyl)-4-pentoxybenzamide?
N-(3-chlorophenyl)-4-pentoxybenzamide has a molecular weight of 317.82 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-pentoxybenzamide is sourced from PubChem (CID 4934948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).