4-[(2-bromophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide

C19H21BrN2O2 — CID 119512587

IUPAC4-[(2-bromophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C19H21BrN2O2/c20-17-5-1-2-6-18(17)24-13-14-7-9-15(10-8-14)19(23)22-12-16-4-3-11-21-16/h1-2,5-10,16,21H,3-4,11-13H2,(H,22,23)
InChIKeyCFBQKWKAKCWGKA-UHFFFAOYSA-N
MW389.29 g/mol
LogP3.51
Rot. Bonds6

About 4-[(2-bromophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide

4-[(2-bromophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide (PubChem CID 119512587) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is 4-[(2-bromophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2-bromophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide
PubChem CID119512587
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC Name4-[(2-bromophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide
SMILESO=C(NCC1CCCN1)c1ccc(COc2ccccc2Br)cc1
InChIInChI=1S/C19H21BrN2O2/c20-17-5-1-2-6-18(17)24-13-14-7-9-15(10-8-14)19(23)22-12-16-4-3-11-21-16/h1-2,5-10,16,21H,3-4,11-13H2,(H,22,23)
InChIKeyCFBQKWKAKCWGKA-UHFFFAOYSA-N
XLogP3.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
4-benzamido-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513146
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
4-[(2-bromophenoxy)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4091350
3-bromo-4-chloro-N-(piperidin-2-ylmethyl)benzamide
CID 107990193
4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542341
4-[(2-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19578710
4-[(2-bromophenoxy)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 2193327
3-bromo-4-ethoxy-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509775
[4-[(2-bromophenoxy)methyl]phenyl]-piperazin-1-ylmethanone
CID 119402210
3-methoxy-4-methyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119509893
3-bromo-4-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 81472136

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide?
The IUPAC name of 4-[(2-bromophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide (CID 119512587) is 4-[(2-bromophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2-bromophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(2-bromophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide is O=C(NCC1CCCN1)c1ccc(COc2ccccc2Br)cc1.
What is the InChIKey of 4-[(2-bromophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide?
The InChIKey is CFBQKWKAKCWGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c20-17-5-1-2-6-18(17)24-13-14-7-9-15(10-8-14)19(23)22-12-16-4-3-11-21-16/h1-2,5-10,16,21H,3-4,11-13H2,(H,22,23).
What are the key properties of 4-[(2-bromophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide?
4-[(2-bromophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide has a molecular weight of 389.29 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenoxy)methyl]-N-(pyrrolidin-2-ylmethyl)benzamide is sourced from PubChem (CID 119512587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).