4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide

C16H20BrFN2O — CID 106608439

IUPAC4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Br)c(F)c1)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H20BrFN2O/c17-14-6-5-12(8-15(14)18)16(21)20(9-11-3-4-11)10-13-2-1-7-19-13/h5-6,8,11,13,19H,1-4,7,9-10H2
InChIKeyMUJIFOXJBWZHTO-UHFFFAOYSA-N
MW355.25 g/mol
LogP3.19
Rot. Bonds5

About 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide

4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106608439) has the molecular formula C16H20BrFN2O and a molecular weight of 355.25 g/mol. Its IUPAC name is 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106608439
Molecular FormulaC16H20BrFN2O
Molecular Weight355.25 g/mol
Exact Mass354.07
IUPAC Name4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(c1ccc(Br)c(F)c1)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H20BrFN2O/c17-14-6-5-12(8-15(14)18)16(21)20(9-11-3-4-11)10-13-2-1-7-19-13/h5-6,8,11,13,19H,1-4,7,9-10H2
InChIKeyMUJIFOXJBWZHTO-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-3-fluoro-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608710
N-(cyclopropylmethyl)-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608699
N-(cyclopropylmethyl)-3,4-dihydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107728841
5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608490
3-chloro-N-(cyclopropylmethyl)-4-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608291
N-(cyclopropylmethyl)-5-fluoro-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 106608284
3,4-difluoro-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610422
2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608591
N-(cyclopropylmethyl)-6-oxo-N-(pyrrolidin-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 106608307
4-bromo-3-fluoro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]benzamide
CID 104955112
5-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 106608722
4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608555

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106608439) is 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide is O=C(c1ccc(Br)c(F)c1)N(CC1CC1)CC1CCCN1.
What is the InChIKey of 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is MUJIFOXJBWZHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFN2O/c17-14-6-5-12(8-15(14)18)16(21)20(9-11-3-4-11)10-13-2-1-7-19-13/h5-6,8,11,13,19H,1-4,7,9-10H2.
What are the key properties of 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 355.25 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106608439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).