2,4-dichloro-N-(4-propoxyphenyl)benzamide

C16H15Cl2NO2 — CID 4942968

IUPAC2,4-dichloro-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H15Cl2NO2/c1-2-9-21-13-6-4-12(5-7-13)19-16(20)14-8-3-11(17)10-15(14)18/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyZKTOCALDGQDVMP-UHFFFAOYSA-N
MW324.21 g/mol
LogP5.03
Rot. Bonds5

About 2,4-dichloro-N-(4-propoxyphenyl)benzamide

2,4-dichloro-N-(4-propoxyphenyl)benzamide (PubChem CID 4942968) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-propoxyphenyl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4-propoxyphenyl)benzamide
PubChem CID4942968
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name2,4-dichloro-N-(4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C16H15Cl2NO2/c1-2-9-21-13-6-4-12(5-7-13)19-16(20)14-8-3-11(17)10-15(14)18/h3-8,10H,2,9H2,1H3,(H,19,20)
InChIKeyZKTOCALDGQDVMP-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

2,4-dichloro-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 111116219
N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide
CID 2261087
3-chloro-N-(4-propoxyphenyl)pyridine-4-carboxamide
CID 66483370
2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide
CID 106501743
N-(4-butan-2-yloxyphenyl)-2,4-dichlorobenzamide
CID 17160527
2,4-dichloro-N-[4-[[4-(2-methylpropoxy)benzoyl]amino]phenyl]benzamide
CID 2263896
2,4-difluoro-N-(4-propoxyphenyl)benzamide
CID 17178087
2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide
CID 600447
2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide
CID 1340247
N-(4-acetamidophenyl)-2,4-dichlorobenzamide
CID 786004
(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 7044725
2-chloro-N-[(4-propoxyphenyl)carbamothioyl]benzamide
CID 4943184

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-propoxyphenyl)benzamide?
The IUPAC name of 2,4-dichloro-N-(4-propoxyphenyl)benzamide (CID 4942968) is 2,4-dichloro-N-(4-propoxyphenyl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(4-propoxyphenyl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(4-propoxyphenyl)benzamide is CCCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-(4-propoxyphenyl)benzamide?
The InChIKey is ZKTOCALDGQDVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-2-9-21-13-6-4-12(5-7-13)19-16(20)14-8-3-11(17)10-15(14)18/h3-8,10H,2,9H2,1H3,(H,19,20).
What are the key properties of 2,4-dichloro-N-(4-propoxyphenyl)benzamide?
2,4-dichloro-N-(4-propoxyphenyl)benzamide 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 2,4-dichloro-N-(4-propoxyphenyl)benzamide is sourced from PubChem (CID 4942968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).