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

C16H15Cl2NO2 — CID 4938387

IUPACN-(3,4-dichlorophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H15Cl2NO2/c1-2-9-21-13-6-3-11(4-7-13)16(20)19-12-5-8-14(17)15(18)10-12/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyHBSYDTPENRJEOQ-UHFFFAOYSA-N
MW324.21 g/mol
LogP5.03
Rot. Bonds5

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

N-(3,4-dichlorophenyl)-4-propoxybenzamide (PubChem CID 4938387) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-propoxybenzamide
PubChem CID4938387
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC NameN-(3,4-dichlorophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C16H15Cl2NO2/c1-2-9-21-13-6-3-11(4-7-13)16(20)19-12-5-8-14(17)15(18)10-12/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyHBSYDTPENRJEOQ-UHFFFAOYSA-N
XLogP5.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.21
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dichlorophenyl)-4-hexoxybenzamide
CID 4933556
N-(3-chlorophenyl)-4-propoxybenzamide
CID 4938336
3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 17342688
N-(3,4-dichlorophenyl)-4-(2-phenylethoxy)benzamide
CID 4956327
N-(3,4-dichlorophenyl)-4-(2-phenylsulfanylethoxy)benzamide
CID 28578298
N-(3-chloro-4-fluorophenyl)-4-heptoxybenzamide
CID 4950672
4-butoxy-3,5-dichloro-N-(3,4-dichlorophenyl)benzamide
CID 18848325
N-(3-amino-4-chlorophenyl)-4-ethoxybenzamide
CID 18071163
N-[3-chloro-4-[4-(4-propoxybenzoyl)piperazin-1-yl]phenyl]-4-propoxybenzamide
CID 21168713
4-propan-2-yl-N-(4-propoxyphenyl)benzamide
CID 17177442
4-butoxy-N-(2-chloro-4-pyridinyl)benzamide
CID 103606840
4-propoxy-N-[2-[(4-propoxybenzoyl)amino]-1,3-benzothiazol-6-yl]benzamide
CID 5104279

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-propoxybenzamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-propoxybenzamide (CID 4938387) is N-(3,4-dichlorophenyl)-4-propoxybenzamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-propoxybenzamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-propoxybenzamide?
The InChIKey is HBSYDTPENRJEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-2-9-21-13-6-3-11(4-7-13)16(20)19-12-5-8-14(17)15(18)10-12/h3-8,10H,2,9H2,1H3,(H,19,20).
What are the key properties of N-(3,4-dichlorophenyl)-4-propoxybenzamide?
N-(3,4-dichlorophenyl)-4-propoxybenzamide has a molecular weight of 324.21 g/mol, XLogP of 5.03, 5 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-propoxybenzamide is sourced from PubChem (CID 4938387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).