4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide

C14H19BrN2O2 — CID 54916469

IUPAC4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)N(C)C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c1-4-9-17(10-13(18)16(2)3)14(19)11-5-7-12(15)8-6-11/h5-8H,4,9-10H2,1-3H3
InChIKeyXOIMNSNFVFOYER-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.39
Rot. Bonds5

About 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide

4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide (PubChem CID 54916469) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide
PubChem CID54916469
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)N(C)C)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c1-4-9-17(10-13(18)16(2)3)14(19)11-5-7-12(15)8-6-11/h5-8H,4,9-10H2,1-3H3
InChIKeyXOIMNSNFVFOYER-UHFFFAOYSA-N
XLogP2.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N,N-dipentylbenzamide
CID 4599077
2-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide
CID 103752570
2-[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]benzoic acid
CID 61042461
3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide
CID 47356566
4-bromo-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 4088563
5-bromo-2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpyridine-3-carboxamide
CID 62000655
4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 27793697
4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811247
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
3-[(4-bromobenzoyl)-ethylamino]propanoic acid
CID 61007317
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-3-methylbenzamide
CID 115770617

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide (CID 54916469) is 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)N(C)C)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide?
The InChIKey is XOIMNSNFVFOYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-4-9-17(10-13(18)16(2)3)14(19)11-5-7-12(15)8-6-11/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide?
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide has a molecular weight of 327.22 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 54916469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).