N-(3-chloro-4-propoxyphenyl)benzamide

C16H16ClNO2 — CID 47311781

IUPACN-(3-chloro-4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C16H16ClNO2/c1-2-10-20-15-9-8-13(11-14(15)17)18-16(19)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,18,19)
InChIKeyJKGLZYDAEAUAAN-UHFFFAOYSA-N
MW289.76 g/mol
LogP4.38
Rot. Bonds5

About N-(3-chloro-4-propoxyphenyl)benzamide

N-(3-chloro-4-propoxyphenyl)benzamide (PubChem CID 47311781) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is N-(3-chloro-4-propoxyphenyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-propoxyphenyl)benzamide
PubChem CID47311781
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC NameN-(3-chloro-4-propoxyphenyl)benzamide
SMILESCCCOc1ccc(NC(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C16H16ClNO2/c1-2-10-20-15-9-8-13(11-14(15)17)18-16(19)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,18,19)
InChIKeyJKGLZYDAEAUAAN-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
CID 62234356
N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
CID 4960108
3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 17342688
4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide
CID 47267908
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 175816662
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 4938387
3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
CID 107518009
4-(3-chloro-4-propoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496736
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
3-bromo-N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-4-propoxybenzamide
CID 26166839
2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
CID 61266597

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-propoxyphenyl)benzamide?
The IUPAC name of N-(3-chloro-4-propoxyphenyl)benzamide (CID 47311781) is N-(3-chloro-4-propoxyphenyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-propoxyphenyl)benzamide?
The canonical SMILES for N-(3-chloro-4-propoxyphenyl)benzamide is CCCOc1ccc(NC(=O)c2ccccc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-propoxyphenyl)benzamide?
The InChIKey is JKGLZYDAEAUAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-2-10-20-15-9-8-13(11-14(15)17)18-16(19)12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,18,19).
What are the key properties of N-(3-chloro-4-propoxyphenyl)benzamide?
N-(3-chloro-4-propoxyphenyl)benzamide has a molecular weight of 289.76 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-propoxyphenyl)benzamide is sourced from PubChem (CID 47311781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).