4-bromo-N-tert-butyl-3-fluoro-2-[(2R)-2-hydroxypropyl]benzamide

C14H19BrFNO2 — CID 86727036

IUPAC4-bromo-N-tert-butyl-3-fluoro-2-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)Cc1c(C(=O)NC(C)(C)C)ccc(Br)c1F
InChIInChI=1S/C14H19BrFNO2/c1-8(18)7-10-9(5-6-11(15)12(10)16)13(19)17-14(2,3)4/h5-6,8,18H,7H2,1-4H3,(H,17,19)/t8-/m1/s1
InChIKeyPFCIASZWJCGDQW-MRVPVSSYSA-N
MW332.21 g/mol
LogP3.04
Rot. Bonds3

About 4-bromo-N-tert-butyl-3-fluoro-2-[(2R)-2-hydroxypropyl]benzamide

4-bromo-N-tert-butyl-3-fluoro-2-[(2R)-2-hydroxypropyl]benzamide (PubChem CID 86727036) has the molecular formula C14H19BrFNO2 and a molecular weight of 332.21 g/mol. Its IUPAC name is 4-bromo-N-tert-butyl-3-fluoro-2-[(2R)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-tert-butyl-3-fluoro-2-[(2R)-2-hydroxypropyl]benzamide
PubChem CID86727036
Molecular FormulaC14H19BrFNO2
Molecular Weight332.21 g/mol
Exact Mass331.06
IUPAC Name4-bromo-N-tert-butyl-3-fluoro-2-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)Cc1c(C(=O)NC(C)(C)C)ccc(Br)c1F
InChIInChI=1S/C14H19BrFNO2/c1-8(18)7-10-9(5-6-11(15)12(10)16)13(19)17-14(2,3)4/h5-6,8,18H,7H2,1-4H3,(H,17,19)/t8-/m1/s1
InChIKeyPFCIASZWJCGDQW-MRVPVSSYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2R)-1-(4-bromo-2-methylphenyl)-2-hydroxypropyl]-2,6-difluorobenzamide
CID 59069361
N-[(1R,2S)-1-(4-bromo-2-methylphenyl)-2-hydroxypropyl]-2,6-difluorobenzamide
CID 59069362
N-[(1S,2S)-1-(4-bromo-2-methylphenyl)-2-hydroxypropyl]-2,6-difluorobenzamide
CID 59069386
N-[(1R,2R)-1-(4-bromo-2-methylphenyl)-2-hydroxypropyl]-2,6-difluorobenzamide
CID 59069436
4-bromo-N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide
CID 71271593
N-tert-butyl-3-fluoro-2-(2-hydroxyethyl)benzamide
CID 141359575
4-bromo-N-tert-butyl-3-(1-fluoro-2-hydroxyethyl)benzamide
CID 141628870
N-[(2R)-1-(4-bromo-2-methylphenyl)-2-hydroxypropyl]-2,6-difluorobenzamide
CID 142199860
N-tert-butyl-4-fluoro-2-[4-(2-fluorophenyl)-2-hydroxybutyl]benzamide
CID 143402507
Tert-butyl 4-[[4-bromo-3-fluoro-2-(2-hydroxyethyl)benzoyl]amino]piperidine-1-carboxylate
CID 156889042
6-bromo-7-fluoro-3-(4-hydroxybutyl)-2H-isoquinolin-1-one
CID 178029064
4-bromo-2-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzamide
CID 55081978

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-tert-butyl-3-fluoro-2-[(2R)-2-hydroxypropyl]benzamide?
The IUPAC name of 4-bromo-N-tert-butyl-3-fluoro-2-[(2R)-2-hydroxypropyl]benzamide (CID 86727036) is 4-bromo-N-tert-butyl-3-fluoro-2-[(2R)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 4-bromo-N-tert-butyl-3-fluoro-2-[(2R)-2-hydroxypropyl]benzamide?
The canonical SMILES for 4-bromo-N-tert-butyl-3-fluoro-2-[(2R)-2-hydroxypropyl]benzamide is C[C@@H](O)Cc1c(C(=O)NC(C)(C)C)ccc(Br)c1F.
What is the InChIKey of 4-bromo-N-tert-butyl-3-fluoro-2-[(2R)-2-hydroxypropyl]benzamide?
The InChIKey is PFCIASZWJCGDQW-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H19BrFNO2/c1-8(18)7-10-9(5-6-11(15)12(10)16)13(19)17-14(2,3)4/h5-6,8,18H,7H2,1-4H3,(H,17,19)/t8-/m1/s1.
What are the key properties of 4-bromo-N-tert-butyl-3-fluoro-2-[(2R)-2-hydroxypropyl]benzamide?
4-bromo-N-tert-butyl-3-fluoro-2-[(2R)-2-hydroxypropyl]benzamide has a molecular weight of 332.21 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-tert-butyl-3-fluoro-2-[(2R)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 86727036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).