2-bromo-5-(4-fluorophenyl)-N,N-di(propan-2-yl)benzamide

C19H21BrFNO — CID 102224020

IUPAC2-bromo-5-(4-fluorophenyl)-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1cc(-c2ccc(F)cc2)ccc1Br)C(C)C
InChIInChI=1S/C19H21BrFNO/c1-12(2)22(13(3)4)19(23)17-11-15(7-10-18(17)20)14-5-8-16(21)9-6-14/h5-13H,1-4H3
InChIKeyBODBOKKLTACLIA-UHFFFAOYSA-N
MW378.29 g/mol
LogP5.51
Rot. Bonds4

About 2-bromo-5-(4-fluorophenyl)-N,N-di(propan-2-yl)benzamide

2-bromo-5-(4-fluorophenyl)-N,N-di(propan-2-yl)benzamide (PubChem CID 102224020) has the molecular formula C19H21BrFNO and a molecular weight of 378.29 g/mol. Its IUPAC name is 2-bromo-5-(4-fluorophenyl)-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-5-(4-fluorophenyl)-N,N-di(propan-2-yl)benzamide
PubChem CID102224020
Molecular FormulaC19H21BrFNO
Molecular Weight378.29 g/mol
Exact Mass377.08
IUPAC Name2-bromo-5-(4-fluorophenyl)-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1cc(-c2ccc(F)cc2)ccc1Br)C(C)C
InChIInChI=1S/C19H21BrFNO/c1-12(2)22(13(3)4)19(23)17-11-15(7-10-18(17)20)14-5-8-16(21)9-6-14/h5-13H,1-4H3
InChIKeyBODBOKKLTACLIA-UHFFFAOYSA-N
XLogP5.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.29
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-bromo-N-(4-phenylbutyl)benzamide
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4-Benzyl-1-(4-bromobenzoyl)piperidine
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-fluorophenyl)-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 2-bromo-5-(4-fluorophenyl)-N,N-di(propan-2-yl)benzamide (CID 102224020) is 2-bromo-5-(4-fluorophenyl)-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-5-(4-fluorophenyl)-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 2-bromo-5-(4-fluorophenyl)-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1cc(-c2ccc(F)cc2)ccc1Br)C(C)C.
What is the InChIKey of 2-bromo-5-(4-fluorophenyl)-N,N-di(propan-2-yl)benzamide?
The InChIKey is BODBOKKLTACLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrFNO/c1-12(2)22(13(3)4)19(23)17-11-15(7-10-18(17)20)14-5-8-16(21)9-6-14/h5-13H,1-4H3.
What are the key properties of 2-bromo-5-(4-fluorophenyl)-N,N-di(propan-2-yl)benzamide?
2-bromo-5-(4-fluorophenyl)-N,N-di(propan-2-yl)benzamide has a molecular weight of 378.29 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-fluorophenyl)-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 102224020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).