4-butan-2-yloxy-N-(2-chlorophenyl)benzamide

C17H18ClNO2 — CID 17141187

IUPAC4-butan-2-yloxy-N-(2-chlorophenyl)benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-3-12(2)21-14-10-8-13(9-11-14)17(20)19-16-7-5-4-6-15(16)18/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyWKQXFDCGMRYJAE-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.77
Rot. Bonds5

About 4-butan-2-yloxy-N-(2-chlorophenyl)benzamide

4-butan-2-yloxy-N-(2-chlorophenyl)benzamide (PubChem CID 17141187) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-(2-chlorophenyl)benzamide.

Molecular Properties

Compound Name4-butan-2-yloxy-N-(2-chlorophenyl)benzamide
PubChem CID17141187
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name4-butan-2-yloxy-N-(2-chlorophenyl)benzamide
SMILESCCC(C)Oc1ccc(C(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H18ClNO2/c1-3-12(2)21-14-10-8-13(9-11-14)17(20)19-16-7-5-4-6-15(16)18/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyWKQXFDCGMRYJAE-UHFFFAOYSA-N
XLogP4.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yloxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 3584037
N-(2-chlorophenyl)-4-[1-(2-ethoxyanilino)-1-oxopropan-2-yl]oxybenzamide
CID 2968671
2-[(4-butan-2-yloxybenzoyl)amino]-N-(1-phenylethyl)benzamide
CID 17141286
N-(2-chlorophenyl)-4-(ethylamino)benzamide
CID 62167613
3-[[3-[(2S)-butan-2-yl]oxybenzoyl]amino]-4-chlorobenzoic acid
CID 28673178
3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide
CID 17149678
N-(3-chloro-2-methylphenyl)-4-propan-2-yloxybenzamide
CID 886785
4-butan-2-yloxy-N-(3-chloro-4-methoxyphenyl)benzamide
CID 17141302
4-butan-2-yloxy-N-[(2,5-dichlorophenyl)carbamothioyl]benzamide
CID 17141586
(2-chlorophenyl)methyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4231696
N-(4-butan-2-yloxyphenyl)-4-methoxybenzamide
CID 17160544
2-[4-[(2,3-dichlorophenyl)carbamoyl]phenoxy]propanoic acid
CID 12771080

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-(2-chlorophenyl)benzamide?
The IUPAC name of 4-butan-2-yloxy-N-(2-chlorophenyl)benzamide (CID 17141187) is 4-butan-2-yloxy-N-(2-chlorophenyl)benzamide.
What is the SMILES notation for 4-butan-2-yloxy-N-(2-chlorophenyl)benzamide?
The canonical SMILES for 4-butan-2-yloxy-N-(2-chlorophenyl)benzamide is CCC(C)Oc1ccc(C(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 4-butan-2-yloxy-N-(2-chlorophenyl)benzamide?
The InChIKey is WKQXFDCGMRYJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-3-12(2)21-14-10-8-13(9-11-14)17(20)19-16-7-5-4-6-15(16)18/h4-12H,3H2,1-2H3,(H,19,20).
What are the key properties of 4-butan-2-yloxy-N-(2-chlorophenyl)benzamide?
4-butan-2-yloxy-N-(2-chlorophenyl)benzamide has a molecular weight of 303.79 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-(2-chlorophenyl)benzamide is sourced from PubChem (CID 17141187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).