3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide

C16H16BrNO3 — CID 121085471

IUPAC3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)(c1ccco1)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C16H16BrNO3/c17-13-4-1-3-11(9-13)15(19)18-10-16(20,12-6-7-12)14-5-2-8-21-14/h1-5,8-9,12,20H,6-7,10H2,(H,18,19)
InChIKeyDJODGYFXWVXJGH-UHFFFAOYSA-N
MW350.21 g/mol
LogP3.07
Rot. Bonds5

About 3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide

3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide (PubChem CID 121085471) has the molecular formula C16H16BrNO3 and a molecular weight of 350.21 g/mol. Its IUPAC name is 3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
PubChem CID121085471
Molecular FormulaC16H16BrNO3
Molecular Weight350.21 g/mol
Exact Mass349.03
IUPAC Name3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)(c1ccco1)C1CC1)c1cccc(Br)c1
InChIInChI=1S/C16H16BrNO3/c17-13-4-1-3-11(9-13)15(19)18-10-16(20,12-6-7-12)14-5-2-8-21-14/h1-5,8-9,12,20H,6-7,10H2,(H,18,19)
InChIKeyDJODGYFXWVXJGH-UHFFFAOYSA-N
XLogP3.07
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.21
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(trifluoromethyl)benzamide
CID 121085461
4-tert-butyl-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide
CID 121085441
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide
CID 121085486
3-bromo-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
CID 90605052
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-thiophen-2-ylacetamide
CID 71781476
N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-5-nitrofuran-2-carboxamide
CID 95982310
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95982356
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 71781506
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 71781508
3-bromo-N-(2-bromo-2,2-difluoroethyl)benzamide
CID 130552052
1-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-3-(3,4-dimethylphenyl)urea
CID 121085634
N-[(2S)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2-methylsulfanylpyridine-3-carboxamide
CID 97038547

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide (CID 121085471) is 3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide is O=C(NCC(O)(c1ccco1)C1CC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide?
The InChIKey is DJODGYFXWVXJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO3/c17-13-4-1-3-11(9-13)15(19)18-10-16(20,12-6-7-12)14-5-2-8-21-14/h1-5,8-9,12,20H,6-7,10H2,(H,18,19).
What are the key properties of 3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide?
3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide has a molecular weight of 350.21 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]benzamide is sourced from PubChem (CID 121085471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).