3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide

C18H19BrN2O3 — CID 17218741

IUPAC3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C18H19BrN2O3/c1-3-10-20-17(22)12-4-7-14(8-5-12)21-18(23)13-6-9-16(24-2)15(19)11-13/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyLWGJAQGRQJBGBW-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.85
Rot. Bonds6

About 3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide

3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide (PubChem CID 17218741) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
PubChem CID17218741
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2ccc(OC)c(Br)c2)cc1
InChIInChI=1S/C18H19BrN2O3/c1-3-10-20-17(22)12-4-7-14(8-5-12)21-18(23)13-6-9-16(24-2)15(19)11-13/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyLWGJAQGRQJBGBW-UHFFFAOYSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-iodo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218730
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
3-bromo-4-methoxy-N-[[3-(propylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 17223018
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218947
3-bromo-4-methoxy-N-(propylcarbamothioyl)benzamide
CID 4925860
3-bromo-4-(2-methoxyethoxy)-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 17222743
3-bromo-N-[[4-[2-(diethylamino)ethylcarbamoyl]phenyl]carbamothioyl]-4-methoxybenzamide
CID 17230007
2-[4-[(3-bromo-4-methoxybenzoyl)amino]phenyl]acetic acid
CID 17341898
3-bromo-4-(oxolan-2-ylmethoxy)-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218870

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide (CID 17218741) is 3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide is CCCNC(=O)c1ccc(NC(=O)c2ccc(OC)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide?
The InChIKey is LWGJAQGRQJBGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-3-10-20-17(22)12-4-7-14(8-5-12)21-18(23)13-6-9-16(24-2)15(19)11-13/h4-9,11H,3,10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide?
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide has a molecular weight of 391.27 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17218741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).