N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide

C19H21BrN2O2 — CID 1241654

IUPACN-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C19H21BrN2O2/c1-3-13(4-2)18(23)22-17-7-5-6-14(12-17)19(24)21-16-10-8-15(20)9-11-16/h5-13H,3-4H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLEDFGRBCQABGGS-UHFFFAOYSA-N
MW389.29 g/mol
LogP5.08
Rot. Bonds6

About N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide

N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide (PubChem CID 1241654) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide
PubChem CID1241654
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C19H21BrN2O2/c1-3-13(4-2)18(23)22-17-7-5-6-14(12-17)19(24)21-16-10-8-15(20)9-11-16/h5-13H,3-4H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLEDFGRBCQABGGS-UHFFFAOYSA-N
XLogP5.08
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.29
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide 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

3-[[3-(2-ethylbutanoylamino)benzoyl]amino]benzoate
CID 6978042
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-ethylbutanoylamino)benzamide
CID 2218416
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309171
N-(3-benzoylphenyl)-2-ethylbutanamide
CID 974891
methyl 3-(2-ethylbutanoylamino)benzoate
CID 43404089
N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17172041
N-(3,5-dimethylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309070
3-(2-ethylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 977043
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
4-bromo-2-[[4-(2-ethylbutanoylamino)benzoyl]amino]benzoic acid
CID 17362944
3-(2-ethylbutanoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 1241661

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide?
The IUPAC name of N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide (CID 1241654) is N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide?
The canonical SMILES for N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide is CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide?
The InChIKey is LEDFGRBCQABGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-3-13(4-2)18(23)22-17-7-5-6-14(12-17)19(24)21-16-10-8-15(20)9-11-16/h5-13H,3-4H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide?
N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide has a molecular weight of 389.29 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(2-ethylbutanoylamino)benzamide is sourced from PubChem (CID 1241654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).