2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide

C14H13BrN2O — CID 842504

IUPAC2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCc1ccccn1
InChIInChI=1S/C14H13BrN2O/c15-12-6-4-11(5-7-12)9-14(18)17-10-13-3-1-2-8-16-13/h1-8H,9-10H2,(H,17,18)
InChIKeyLTZIPJZHAQBRDM-UHFFFAOYSA-N
MW305.18 g/mol
LogP2.70
Rot. Bonds4

About 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide

2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 842504) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID842504
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)NCc1ccccn1
InChIInChI=1S/C14H13BrN2O/c15-12-6-4-11(5-7-12)9-14(18)17-10-13-3-1-2-8-16-13/h1-8H,9-10H2,(H,17,18)
InChIKeyLTZIPJZHAQBRDM-UHFFFAOYSA-N
XLogP2.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108899435
1-[2-(4-bromophenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 108902321
2-(4-piperidin-1-ylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 110648259
5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide
CID 3237599
N-[(4-fluorophenyl)methyl]-N'-(pyridin-2-ylmethyl)propanediamide
CID 108946374
N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide
CID 17359500
2-(5-bromo-1-propan-2-ylindol-3-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 171476841
N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947438
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189
2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]-N-(pyridin-2-ylmethyl)acetamide
CID 139763050
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
CID 9414555

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide (CID 842504) is 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide is O=C(Cc1ccc(Br)cc1)NCc1ccccn1.
What is the InChIKey of 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is LTZIPJZHAQBRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c15-12-6-4-11(5-7-12)9-14(18)17-10-13-3-1-2-8-16-13/h1-8H,9-10H2,(H,17,18).
What are the key properties of 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide?
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 305.18 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 842504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).