5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide

C16H22BrN3O — CID 106620042

IUPAC5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESNC(=O)c1cc(Br)ccc1N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H22BrN3O/c17-12-5-6-15(14(8-12)16(18)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,(H2,18,21)
InChIKeyJZECWHGOYMUCGF-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.52
Rot. Bonds6

About 5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide

5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide (PubChem CID 106620042) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide.

Molecular Properties

Compound Name5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide
PubChem CID106620042
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide
SMILESNC(=O)c1cc(Br)ccc1N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H22BrN3O/c17-12-5-6-15(14(8-12)16(18)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,(H2,18,21)
InChIKeyJZECWHGOYMUCGF-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619754
4-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-methylbenzamide
CID 106620002
5-bromo-N-(cyclopropylmethyl)-2-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608490
5-bromo-2-[methyl(piperidin-3-ylmethyl)amino]benzamide
CID 106642759
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-5-nitrobenzamide
CID 106619376
5-bromo-2-[methyl(piperidin-4-ylmethyl)amino]benzamide
CID 114894118
4-bromo-2-chloro-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608555
4-bromo-2-[piperidin-2-ylmethyl(propan-2-yl)amino]benzamide
CID 106641422
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106621325
5-bromo-2-(2-pyrrolidin-2-ylethylamino)benzamide
CID 114894218
5-bromo-2-[2-[(2S)-pyrrolidin-2-yl]ethylamino]benzamide
CID 104982774
1-[5-bromo-2-[cyclopropylmethyl(ethyl)amino]phenyl]ethanone
CID 82966661

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The IUPAC name of 5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide (CID 106620042) is 5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide.
What is the SMILES notation for 5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The canonical SMILES for 5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide is NC(=O)c1cc(Br)ccc1N(CC1CC1)CC1CCCN1.
What is the InChIKey of 5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide?
The InChIKey is JZECWHGOYMUCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O/c17-12-5-6-15(14(8-12)16(18)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,(H2,18,21).
What are the key properties of 5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide?
5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide has a molecular weight of 352.28 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]benzamide is sourced from PubChem (CID 106620042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).