3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide

C14H12BrClN2O — CID 103826399

IUPAC3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(Cl)cc(Br)c1)c1ccccn1
InChIInChI=1S/C14H12BrClN2O/c1-9(13-4-2-3-5-17-13)18-14(19)10-6-11(15)8-12(16)7-10/h2-9H,1H3,(H,18,19)
InChIKeyKYISCBACPQBNNT-UHFFFAOYSA-N
MW339.62 g/mol
LogP3.99
Rot. Bonds3

About 3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide

3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide (PubChem CID 103826399) has the molecular formula C14H12BrClN2O and a molecular weight of 339.62 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide
PubChem CID103826399
Molecular FormulaC14H12BrClN2O
Molecular Weight339.62 g/mol
Exact Mass337.98
IUPAC Name3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(Cl)cc(Br)c1)c1ccccn1
InChIInChI=1S/C14H12BrClN2O/c1-9(13-4-2-3-5-17-13)18-14(19)10-6-11(15)8-12(16)7-10/h2-9H,1H3,(H,18,19)
InChIKeyKYISCBACPQBNNT-UHFFFAOYSA-N
XLogP3.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.62
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-6-chloro-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 62154959
3-bromo-5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 107951762
3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107813259
4-amino-3-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81407020
3-bromo-5-chloro-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 155434458
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
3-chloro-4-ethoxy-5-methoxy-N-(1-pyridin-2-ylethyl)benzamide
CID 43007006
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 65307460
4-chloro-N-[1-oxo-1-(1-pyridin-2-ylethylamino)propan-2-yl]benzamide
CID 112758997
4-tert-butyl-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 35939821
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
2-amino-4-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406870

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide (CID 103826399) is 3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide is CC(NC(=O)c1cc(Cl)cc(Br)c1)c1ccccn1.
What is the InChIKey of 3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide?
The InChIKey is KYISCBACPQBNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O/c1-9(13-4-2-3-5-17-13)18-14(19)10-6-11(15)8-12(16)7-10/h2-9H,1H3,(H,18,19).
What are the key properties of 3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide?
3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide has a molecular weight of 339.62 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 103826399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).