5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide

C16H20BrFN2O — CID 106608490

IUPAC5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(c1cc(Br)ccc1F)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H20BrFN2O/c17-12-5-6-15(18)14(8-12)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
InChIKeyXWOHFNRAFKANTC-UHFFFAOYSA-N
MW355.25 g/mol
LogP3.19
Rot. Bonds5

About 5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide

5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 106608490) has the molecular formula C16H20BrFN2O and a molecular weight of 355.25 g/mol. Its IUPAC name is 5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID106608490
Molecular FormulaC16H20BrFN2O
Molecular Weight355.25 g/mol
Exact Mass354.07
IUPAC Name5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(c1cc(Br)ccc1F)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H20BrFN2O/c17-12-5-6-15(18)14(8-12)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
InChIKeyXWOHFNRAFKANTC-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

5-bromo-2-fluoro-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106611177
4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608555
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608439
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608308
2-bromo-N-(cyclopropylmethyl)-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608591
5-bromo-2-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609221
N-(cyclopropylmethyl)-3-fluoro-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608710
3-chloro-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608668
5-bromo-2-fluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzamide
CID 104972072
2,5-dibromo-N-butyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106612246
5-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 106608722
N-(cyclopropylmethyl)-2-hydroxy-5-iodo-N-(pyrrolidin-2-ylmethyl)benzamide
CID 107732244

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide (CID 106608490) is 5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide is O=C(c1cc(Br)ccc1F)N(CC1CC1)CC1CCCN1.
What is the InChIKey of 5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is XWOHFNRAFKANTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrFN2O/c17-12-5-6-15(18)14(8-12)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 5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide?
5-bromo-N-(cyclopropylmethyl)-2-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 5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 106608490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).