3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide

C17H16ClNO2 — CID 17122474

IUPAC3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide
SMILESC=C(C)COc1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClNO2/c1-12(2)11-21-16-8-4-7-15(10-16)19-17(20)13-5-3-6-14(18)9-13/h3-10H,1,11H2,2H3,(H,19,20)
InChIKeyPRPUWCNOGGEQSL-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.55
Rot. Bonds5

About 3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide

3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide (PubChem CID 17122474) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide
PubChem CID17122474
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide
SMILESC=C(C)COc1cccc(NC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClNO2/c1-12(2)11-21-16-8-4-7-15(10-16)19-17(20)13-5-3-6-14(18)9-13/h3-10H,1,11H2,2H3,(H,19,20)
InChIKeyPRPUWCNOGGEQSL-UHFFFAOYSA-N
XLogP4.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-3-[3-(2-methylprop-2-enoxy)phenyl]urea
CID 17122466
2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
CID 61058711
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17133121
methyl 4-[[3-(2-methylprop-2-enoxy)phenyl]carbamoyl]benzoate
CID 17178302
N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide
CID 17161663
2-(3-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54809113
3-chloro-N-(3-hexoxyphenyl)benzamide
CID 17094792
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
2-(4-chloroanilino)-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54810204
N-(3-hexoxyphenyl)-4-(2-methylprop-2-enoxy)benzamide
CID 17123828

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide (CID 17122474) is 3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide is C=C(C)COc1cccc(NC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide?
The InChIKey is PRPUWCNOGGEQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-12(2)11-21-16-8-4-7-15(10-16)19-17(20)13-5-3-6-14(18)9-13/h3-10H,1,11H2,2H3,(H,19,20).
What are the key properties of 3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide?
3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide has a molecular weight of 301.77 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide is sourced from PubChem (CID 17122474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).