N-(3-bromophenyl)-2-(diethylamino)acetamide

C12H17BrN2O — CID 975030

IUPACN-(3-bromophenyl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-3-15(4-2)9-12(16)14-11-7-5-6-10(13)8-11/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyJZWCNTHRWJJOLI-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.73
Rot. Bonds5

About N-(3-bromophenyl)-2-(diethylamino)acetamide

N-(3-bromophenyl)-2-(diethylamino)acetamide (PubChem CID 975030) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(diethylamino)acetamide
PubChem CID975030
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(3-bromophenyl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-3-15(4-2)9-12(16)14-11-7-5-6-10(13)8-11/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyJZWCNTHRWJJOLI-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(4-methoxyphenyl)acetamide
CID 2491478
N-(3-bromophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60692729
N-[3-(aminomethyl)phenyl]-2-(diethylamino)acetamide
CID 16779439
methyl 2-[[2-(3-bromoanilino)-2-oxoethyl]-methylamino]acetate
CID 60660384
2-[acetyl(cyclopropyl)amino]-N-(3-bromophenyl)acetamide
CID 113158461
N-(3-bromophenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147615
2-[[2-(3-acetylanilino)-2-oxoethyl]-ethylamino]-N-ethylacetamide
CID 9432878
3-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 61009921
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509
2-(diethylamino)-N-naphthalen-2-ylacetamide
CID 44883479
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(diethylamino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(diethylamino)acetamide (CID 975030) is N-(3-bromophenyl)-2-(diethylamino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(diethylamino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(diethylamino)acetamide is CCN(CC)CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(diethylamino)acetamide?
The InChIKey is JZWCNTHRWJJOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-15(4-2)9-12(16)14-11-7-5-6-10(13)8-11/h5-8H,3-4,9H2,1-2H3,(H,14,16).
What are the key properties of N-(3-bromophenyl)-2-(diethylamino)acetamide?
N-(3-bromophenyl)-2-(diethylamino)acetamide has a molecular weight of 285.19 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(diethylamino)acetamide is sourced from PubChem (CID 975030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).