4-bromo-N-(3-propan-2-yloxyphenyl)benzamide

C16H16BrNO2 — CID 54791087

IUPAC4-bromo-N-(3-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1cccc(NC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO2/c1-11(2)20-15-5-3-4-14(10-15)18-16(19)12-6-8-13(17)9-7-12/h3-11H,1-2H3,(H,18,19)
InChIKeyXNQLVUDZQRDMSU-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.49
Rot. Bonds4

About 4-bromo-N-(3-propan-2-yloxyphenyl)benzamide

4-bromo-N-(3-propan-2-yloxyphenyl)benzamide (PubChem CID 54791087) has the molecular formula C16H16BrNO2 and a molecular weight of 334.21 g/mol. Its IUPAC name is 4-bromo-N-(3-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(3-propan-2-yloxyphenyl)benzamide
PubChem CID54791087
Molecular FormulaC16H16BrNO2
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC Name4-bromo-N-(3-propan-2-yloxyphenyl)benzamide
SMILESCC(C)Oc1cccc(NC(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H16BrNO2/c1-11(2)20-15-5-3-4-14(10-15)18-16(19)12-6-8-13(17)9-7-12/h3-11H,1-2H3,(H,18,19)
InChIKeyXNQLVUDZQRDMSU-UHFFFAOYSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
4-bromo-N-[3-[(2S)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 1218528
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
2-(4-bromophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154695
4-bromo-N-[3-(1-hydroxyethyl)phenyl]benzamide
CID 11841391
4-bromo-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 54791265
4-propan-2-yloxy-N-(3-propoxyphenyl)benzamide
CID 17096762
N-(3-chlorophenyl)-4-propan-2-yloxybenzamide
CID 823397
N-[3-[(1S)-1-hydroxyethyl]phenyl]-4-propan-2-yloxybenzamide
CID 100803572
N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3100149
3-bromo-N-(3-propan-2-yloxyphenyl)-4-propoxybenzamide
CID 17154780
N-[3-[(2R)-1-oxo-1-phenylpropan-2-yl]oxyphenyl]benzamide
CID 977194

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 4-bromo-N-(3-propan-2-yloxyphenyl)benzamide (CID 54791087) is 4-bromo-N-(3-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(3-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 4-bromo-N-(3-propan-2-yloxyphenyl)benzamide is CC(C)Oc1cccc(NC(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 4-bromo-N-(3-propan-2-yloxyphenyl)benzamide?
The InChIKey is XNQLVUDZQRDMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2/c1-11(2)20-15-5-3-4-14(10-15)18-16(19)12-6-8-13(17)9-7-12/h3-11H,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(3-propan-2-yloxyphenyl)benzamide?
4-bromo-N-(3-propan-2-yloxyphenyl)benzamide has a molecular weight of 334.21 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 54791087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).