2-bromo-4-[ethyl(piperidin-3-yl)amino]benzamide

C14H20BrN3O — CID 107280707

IUPAC2-bromo-4-[ethyl(piperidin-3-yl)amino]benzamide
SMILESCCN(c1ccc(C(N)=O)c(Br)c1)C1CCCNC1
InChIInChI=1S/C14H20BrN3O/c1-2-18(11-4-3-7-17-9-11)10-5-6-12(14(16)19)13(15)8-10/h5-6,8,11,17H,2-4,7,9H2,1H3,(H2,16,19)
InChIKeyUKAYWBCIRFZHKR-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.13
Rot. Bonds4

About 2-bromo-4-[ethyl(piperidin-3-yl)amino]benzamide

2-bromo-4-[ethyl(piperidin-3-yl)amino]benzamide (PubChem CID 107280707) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-bromo-4-[ethyl(piperidin-3-yl)amino]benzamide.

Molecular Properties

Compound Name2-bromo-4-[ethyl(piperidin-3-yl)amino]benzamide
PubChem CID107280707
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-bromo-4-[ethyl(piperidin-3-yl)amino]benzamide
SMILESCCN(c1ccc(C(N)=O)c(Br)c1)C1CCCNC1
InChIInChI=1S/C14H20BrN3O/c1-2-18(11-4-3-7-17-9-11)10-5-6-12(14(16)19)13(15)8-10/h5-6,8,11,17H,2-4,7,9H2,1H3,(H2,16,19)
InChIKeyUKAYWBCIRFZHKR-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[ethyl(piperidin-3-yl)amino]benzamide
CID 114893995
2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide
CID 107939910
2-[ethyl(piperidin-3-yl)amino]pyridine-4-carboxamide
CID 55244733
2-bromo-4-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 107990350
3-bromo-4-[ethyl(pyrrolidin-3-yl)amino]benzamide
CID 82808855
6-[ethyl(piperidin-3-yl)amino]pyridine-3-carboxamide
CID 63637691
2-chloro-6-[ethyl(piperidin-3-yl)amino]benzamide
CID 63638436
N-(4-bromophenyl)-N-ethylpyrrolidin-3-amine
CID 70794412
2-bromo-4-fluoro-N-methyl-N-piperidin-3-ylbenzamide
CID 63641753
N-ethyl-N-(3-methoxy-4-nitrophenyl)piperidin-3-amine
CID 63670184
2-methyl-4-[methyl(pyrrolidin-3-yl)amino]benzamide
CID 81279435
2-amino-4-[cyclopentyl(ethyl)amino]benzoic acid
CID 113419729

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[ethyl(piperidin-3-yl)amino]benzamide?
The IUPAC name of 2-bromo-4-[ethyl(piperidin-3-yl)amino]benzamide (CID 107280707) is 2-bromo-4-[ethyl(piperidin-3-yl)amino]benzamide.
What is the SMILES notation for 2-bromo-4-[ethyl(piperidin-3-yl)amino]benzamide?
The canonical SMILES for 2-bromo-4-[ethyl(piperidin-3-yl)amino]benzamide is CCN(c1ccc(C(N)=O)c(Br)c1)C1CCCNC1.
What is the InChIKey of 2-bromo-4-[ethyl(piperidin-3-yl)amino]benzamide?
The InChIKey is UKAYWBCIRFZHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-2-18(11-4-3-7-17-9-11)10-5-6-12(14(16)19)13(15)8-10/h5-6,8,11,17H,2-4,7,9H2,1H3,(H2,16,19).
What are the key properties of 2-bromo-4-[ethyl(piperidin-3-yl)amino]benzamide?
2-bromo-4-[ethyl(piperidin-3-yl)amino]benzamide has a molecular weight of 326.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[ethyl(piperidin-3-yl)amino]benzamide is sourced from PubChem (CID 107280707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).