3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide

C17H19BrN2O — CID 109036445

IUPAC3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCNc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-2-20(16-6-4-3-5-7-16)17(21)12-13-19-15-10-8-14(18)9-11-15/h3-11,19H,2,12-13H2,1H3
InChIKeyNWEHVKQKWLFGQW-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.30
Rot. Bonds6

About 3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide

3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide (PubChem CID 109036445) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide
PubChem CID109036445
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCNc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-2-20(16-6-4-3-5-7-16)17(21)12-13-19-15-10-8-14(18)9-11-15/h3-11,19H,2,12-13H2,1H3
InChIKeyNWEHVKQKWLFGQW-UHFFFAOYSA-N
XLogP4.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(4-methylanilino)-N-phenylpropanamide
CID 109034444
3-(3-bromo-4-methylanilino)-N-ethyl-N-phenylpropanamide
CID 109036446
3-(4-bromo-2-methylanilino)-N-ethyl-N-phenylpropanamide
CID 109036483
3-(3,5-dichloroanilino)-N-ethyl-N-phenylpropanamide
CID 109036498
3-(2-chloroanilino)-N-ethyl-N-phenylpropanamide
CID 109036434
3-amino-N-(4-bromophenyl)-N-ethylpropanamide
CID 28795394
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide
CID 113172989
N-ethyl-2-(4-iodoanilino)-N-phenylacetamide
CID 54812345
3-(benzenesulfonamido)-N-ethyl-N-phenylpropanamide
CID 17225869
N-ethyl-N-phenyl-3-(1-phenylethylamino)propanamide
CID 109020294
N-ethyl-3-(2-methyl-6-propan-2-ylanilino)-N-phenylpropanamide
CID 109036429

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide?
The IUPAC name of 3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide (CID 109036445) is 3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide is CCN(C(=O)CCNc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide?
The InChIKey is NWEHVKQKWLFGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-2-20(16-6-4-3-5-7-16)17(21)12-13-19-15-10-8-14(18)9-11-15/h3-11,19H,2,12-13H2,1H3.
What are the key properties of 3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide?
3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide has a molecular weight of 347.26 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 109036445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).