4-bromo-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide

C12H13BrFNO — CID 177301360

IUPAC4-bromo-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(F)c(Br)c(C2CC2)c1
InChIInChI=1S/C12H13BrFNO/c1-15(2)12(16)8-5-9(7-3-4-7)11(13)10(14)6-8/h5-7H,3-4H2,1-2H3
InChIKeyRDNVNTMQNIPCSF-UHFFFAOYSA-N
MW286.14 g/mol
LogP3.17
Rot. Bonds2

About 4-bromo-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide

4-bromo-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide (PubChem CID 177301360) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is 4-bromo-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-bromo-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide
PubChem CID177301360
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name4-bromo-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(F)c(Br)c(C2CC2)c1
InChIInChI=1S/C12H13BrFNO/c1-15(2)12(16)8-5-9(7-3-4-7)11(13)10(14)6-8/h5-7H,3-4H2,1-2H3
InChIKeyRDNVNTMQNIPCSF-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N,N-dimethylbenzamide
CID 140389
2-bromo-4-fluoro-N,N-dimethylbenzamide
CID 24689405
4-bromo-N,N-diethylbenzamide
CID 4498254
Benzamide, 4-bromo-2-fluoro-N-methyl-
CID 24694329
2-Bromo-5-fluoro-N,N-di(propan-2-yl)benzamide
CID 26986192
2-bromo-N,N-dimethylbenzamide
CID 3264342
4-Bromo-N,N-diethyl-2-fluorobenzamide
CID 24694026
2-bromo-N,N-diethyl-4-fluorobenzamide
CID 24692041
4-Bromo-3-fluoro-N,N-dimethylbenzamide
CID 48474236
3-bromo-2-fluoro-N,N-dimethylbenzamide
CID 59375042
2-bromo-3-fluoro-N,N-bis(propan-2-yl)benzamide
CID 73212046
4-Bromo-3-fluoro-N-methoxy-N-methylbenzamide
CID 22313823

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 4-bromo-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide (CID 177301360) is 4-bromo-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 4-bromo-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 4-bromo-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(F)c(Br)c(C2CC2)c1.
What is the InChIKey of 4-bromo-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide?
The InChIKey is RDNVNTMQNIPCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c1-15(2)12(16)8-5-9(7-3-4-7)11(13)10(14)6-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-bromo-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide?
4-bromo-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide has a molecular weight of 286.14 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-cyclopropyl-5-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 177301360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).