N-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide

C22H18ClNO3 — CID 9172914

IUPACN-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1
InChIInChI=1S/C22H18ClNO3/c1-2-14-26-18-11-8-16(9-12-18)22(25)24-20-15-17(23)10-13-21(20)27-19-6-4-3-5-7-19/h2-13,15H,1,14H2,(H,24,25)
InChIKeyPDOFRCUAJCZXOK-UHFFFAOYSA-N
MW379.84 g/mol
LogP5.95
Rot. Bonds7

About N-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide

N-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide (PubChem CID 9172914) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide
PubChem CID9172914
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1
InChIInChI=1S/C22H18ClNO3/c1-2-14-26-18-11-8-16(9-12-18)22(25)24-20-15-17(23)10-13-21(20)27-19-6-4-3-5-7-19/h2-13,15H,1,14H2,(H,24,25)
InChIKeyPDOFRCUAJCZXOK-UHFFFAOYSA-N
XLogP5.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.84
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
N-(5-chloro-2-phenoxyphenyl)-4-[methylsulfonyl(prop-2-enyl)amino]benzamide
CID 2973027
N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide
CID 100513507
N-(5-chloro-2-phenoxyphenyl)-6-methoxypyridine-3-carboxamide
CID 30779619
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26250465
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide
CID 21372436
3-chloro-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 4926011
N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
CID 100657509
N-[2-(3-phenylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17131462
6-chloro-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26267192
N-(5-chloro-2-phenoxyphenyl)-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 93486494

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide (CID 9172914) is N-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide?
The InChIKey is PDOFRCUAJCZXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO3/c1-2-14-26-18-11-8-16(9-12-18)22(25)24-20-15-17(23)10-13-21(20)27-19-6-4-3-5-7-19/h2-13,15H,1,14H2,(H,24,25).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide?
N-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide has a molecular weight of 379.84 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 9172914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).