N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide

C16H16ClNO3 — CID 64789293

IUPACN-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(O)cc2Cl)c1
InChIInChI=1S/C16H16ClNO3/c1-2-8-21-13-5-3-4-11(9-13)16(20)18-15-7-6-12(19)10-14(15)17/h3-7,9-10,19H,2,8H2,1H3,(H,18,20)
InChIKeyKXFPUDOMAWHLIU-UHFFFAOYSA-N
MW305.76 g/mol
LogP4.09
Rot. Bonds5

About N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide

N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide (PubChem CID 64789293) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide
PubChem CID64789293
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(O)cc2Cl)c1
InChIInChI=1S/C16H16ClNO3/c1-2-8-21-13-5-3-4-11(9-13)16(20)18-15-7-6-12(19)10-14(15)17/h3-7,9-10,19H,2,8H2,1H3,(H,18,20)
InChIKeyKXFPUDOMAWHLIU-UHFFFAOYSA-N
XLogP4.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chloro-4-iodophenyl)carbamothioyl]-3-propoxybenzamide
CID 2283172
N-(4-amino-2-chloro-6-methylphenyl)-3-propoxybenzamide
CID 100817249
N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide
CID 100829813
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
N-[5-(butanoylamino)-2-chlorophenyl]-3-propoxybenzamide
CID 4508582
3-butoxy-N-(2,5-dichlorophenyl)benzamide
CID 4956542
N-(4-bromo-2-methylphenyl)-3-propoxybenzamide
CID 2293914
3-ethoxy-N-(2,4,5-trichlorophenyl)benzamide
CID 790473
methyl 4-hydroxy-3-[(3-propoxybenzoyl)amino]benzoate
CID 100739583
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
2-chloro-N-[2-methoxy-4-[(3-propoxybenzoyl)amino]phenyl]benzamide
CID 22780959
N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
CID 4960108

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide (CID 64789293) is N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccc(O)cc2Cl)c1.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide?
The InChIKey is KXFPUDOMAWHLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-2-8-21-13-5-3-4-11(9-13)16(20)18-15-7-6-12(19)10-14(15)17/h3-7,9-10,19H,2,8H2,1H3,(H,18,20).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide?
N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide has a molecular weight of 305.76 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)-3-propoxybenzamide is sourced from PubChem (CID 64789293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).