3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide

C17H16ClNO3 — CID 94763029

IUPAC3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide
SMILESCCCOc1ccc(C=O)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClNO3/c1-2-8-22-16-7-6-12(11-20)9-15(16)19-17(21)13-4-3-5-14(18)10-13/h3-7,9-11H,2,8H2,1H3,(H,19,21)
InChIKeyUUQIUPNEVVTZJE-UHFFFAOYSA-N
MW317.77 g/mol
LogP4.19
Rot. Bonds6

About 3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide

3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide (PubChem CID 94763029) has the molecular formula C17H16ClNO3 and a molecular weight of 317.77 g/mol. Its IUPAC name is 3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide
PubChem CID94763029
Molecular FormulaC17H16ClNO3
Molecular Weight317.77 g/mol
Exact Mass317.08
IUPAC Name3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide
SMILESCCCOc1ccc(C=O)cc1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClNO3/c1-2-8-22-16-7-6-12(11-20)9-15(16)19-17(21)13-4-3-5-14(18)10-13/h3-7,9-11H,2,8H2,1H3,(H,19,21)
InChIKeyUUQIUPNEVVTZJE-UHFFFAOYSA-N
XLogP4.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(5-chloro-2-propoxyphenyl)benzamide
CID 63526145
N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide
CID 94763103
3-chloro-N-[2-(2-ethoxyethoxy)phenyl]benzamide
CID 17134086
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
N-(5-formyl-2-propoxyphenyl)-3-methylbutanamide
CID 82156208
(E)-N-(5-formyl-2-propoxyphenyl)-3-phenylprop-2-enamide
CID 94763034
1-(5-chloro-2-propoxyphenyl)-3-[(3-hydroxybenzoyl)amino]urea
CID 75400136
3-benzamido-N-hydroxy-4-propoxybenzamide
CID 127046660
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
N-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55895644
N-(5-acetyl-2-propoxyphenyl)-3-methylbenzamide
CID 94763143
N-(5-chloro-2-propoxyphenyl)-3-(cyclopentylsulfamoyl)benzamide
CID 55896659

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide?
The IUPAC name of 3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide (CID 94763029) is 3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide.
What is the SMILES notation for 3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide?
The canonical SMILES for 3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide is CCCOc1ccc(C=O)cc1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide?
The InChIKey is UUQIUPNEVVTZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO3/c1-2-8-22-16-7-6-12(11-20)9-15(16)19-17(21)13-4-3-5-14(18)10-13/h3-7,9-11H,2,8H2,1H3,(H,19,21).
What are the key properties of 3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide?
3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide has a molecular weight of 317.77 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-formyl-2-propoxyphenyl)benzamide is sourced from PubChem (CID 94763029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).