2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide

C15H22BrFN2O — CID 18160843

IUPAC2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide
SMILESCC(C)N(CCNC(=O)c1cc(F)ccc1Br)C(C)C
InChIInChI=1S/C15H22BrFN2O/c1-10(2)19(11(3)4)8-7-18-15(20)13-9-12(17)5-6-14(13)16/h5-6,9-11H,7-8H2,1-4H3,(H,18,20)
InChIKeyHHUHSDIOTLJSSH-UHFFFAOYSA-N
MW345.26 g/mol
LogP3.44
Rot. Bonds6

About 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide

2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide (PubChem CID 18160843) has the molecular formula C15H22BrFN2O and a molecular weight of 345.26 g/mol. Its IUPAC name is 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide
PubChem CID18160843
Molecular FormulaC15H22BrFN2O
Molecular Weight345.26 g/mol
Exact Mass344.09
IUPAC Name2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide
SMILESCC(C)N(CCNC(=O)c1cc(F)ccc1Br)C(C)C
InChIInChI=1S/C15H22BrFN2O/c1-10(2)19(11(3)4)8-7-18-15(20)13-9-12(17)5-6-14(13)16/h5-6,9-11H,7-8H2,1-4H3,(H,18,20)
InChIKeyHHUHSDIOTLJSSH-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-5-fluoro-2-methoxybenzamide
CID 34819371
N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119499518
2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide
CID 24694683
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783
2-bromo-5-fluoro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 36907101
2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 60748378
2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide
CID 115583771
5-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-2-fluorobenzamide
CID 60706871
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550
2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
CID 107322000
N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide
CID 119583493
N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 119997831

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide?
The IUPAC name of 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide (CID 18160843) is 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide is CC(C)N(CCNC(=O)c1cc(F)ccc1Br)C(C)C.
What is the InChIKey of 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide?
The InChIKey is HHUHSDIOTLJSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O/c1-10(2)19(11(3)4)8-7-18-15(20)13-9-12(17)5-6-14(13)16/h5-6,9-11H,7-8H2,1-4H3,(H,18,20).
What are the key properties of 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide?
2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide has a molecular weight of 345.26 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide is sourced from PubChem (CID 18160843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).