3-butan-2-yloxy-N-(3-chlorophenyl)benzamide

C17H18ClNO2 — CID 17149674

IUPAC3-butan-2-yloxy-N-(3-chlorophenyl)benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO2/c1-3-12(2)21-16-9-4-6-13(10-16)17(20)19-15-8-5-7-14(18)11-15/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyHIFOCPSSWSVZFO-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.77
Rot. Bonds5

About 3-butan-2-yloxy-N-(3-chlorophenyl)benzamide

3-butan-2-yloxy-N-(3-chlorophenyl)benzamide (PubChem CID 17149674) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-(3-chlorophenyl)benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-(3-chlorophenyl)benzamide
PubChem CID17149674
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name3-butan-2-yloxy-N-(3-chlorophenyl)benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO2/c1-3-12(2)21-16-9-4-6-13(10-16)17(20)19-15-8-5-7-14(18)11-15/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyHIFOCPSSWSVZFO-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

3-butan-2-yloxy-N-(3-methylphenyl)benzamide
CID 17149681
3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide
CID 40976698
3-butan-2-yloxy-N-(2,4-dichlorophenyl)benzamide
CID 17149678
methyl 3-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17175369
N-[3-[(4-butan-2-yloxybenzoyl)carbamothioylamino]phenyl]-3-chlorobenzamide
CID 2936426
3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17149831
N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide
CID 17161663
3-[(2S)-butan-2-yl]oxy-N'-(4-chlorobenzoyl)benzohydrazide
CID 40614005
propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate
CID 40769471
N-(3,5-dichlorophenyl)-3-propan-2-yloxybenzamide
CID 4318037
methyl 4-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17178329
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-(3-chlorophenyl)benzamide?
The IUPAC name of 3-butan-2-yloxy-N-(3-chlorophenyl)benzamide (CID 17149674) is 3-butan-2-yloxy-N-(3-chlorophenyl)benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-(3-chlorophenyl)benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-(3-chlorophenyl)benzamide is CCC(C)Oc1cccc(C(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-(3-chlorophenyl)benzamide?
The InChIKey is HIFOCPSSWSVZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-3-12(2)21-16-9-4-6-13(10-16)17(20)19-15-8-5-7-14(18)11-15/h4-12H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-butan-2-yloxy-N-(3-chlorophenyl)benzamide?
3-butan-2-yloxy-N-(3-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 3-butan-2-yloxy-N-(3-chlorophenyl)benzamide is sourced from PubChem (CID 17149674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).