3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide

C19H18N2O3 — CID 71911480

IUPAC3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide
SMILESCC(=O)CC(C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C19H18N2O3/c1-13(10-14(2)22)21-19(23)16-4-3-5-18(11-16)24-17-8-6-15(12-20)7-9-17/h3-9,11,13H,10H2,1-2H3,(H,21,23)
InChIKeyNVTNNNUZLRJESO-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.45
Rot. Bonds6

About 3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide

3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide (PubChem CID 71911480) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide.

Molecular Properties

Compound Name3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide
PubChem CID71911480
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide
SMILESCC(=O)CC(C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1
InChIInChI=1S/C19H18N2O3/c1-13(10-14(2)22)21-19(23)16-4-3-5-18(11-16)24-17-8-6-15(12-20)7-9-17/h3-9,11,13H,10H2,1-2H3,(H,21,23)
InChIKeyNVTNNNUZLRJESO-UHFFFAOYSA-N
XLogP3.45
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 12941904
3-[(3-ethoxybenzoyl)amino]butanoic acid
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N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104
N-pentan-3-yl-3-phenoxybenzamide
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N-(1-cyanopropan-2-yl)-3-(difluoromethoxy)benzamide
CID 55032759
3-[(3-cyanobenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 154775247
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide
CID 78773277
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 7700822
N-(1-bromopropan-2-yl)-4-cyanobenzamide
CID 114310444

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide?
The IUPAC name of 3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide (CID 71911480) is 3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide.
What is the SMILES notation for 3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide?
The canonical SMILES for 3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide is CC(=O)CC(C)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1.
What is the InChIKey of 3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide?
The InChIKey is NVTNNNUZLRJESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13(10-14(2)22)21-19(23)16-4-3-5-18(11-16)24-17-8-6-15(12-20)7-9-17/h3-9,11,13H,10H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide?
3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide has a molecular weight of 322.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenoxy)-N-(4-oxopentan-2-yl)benzamide is sourced from PubChem (CID 71911480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).