5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide

C19H21BrN2O3 — CID 17196839

IUPAC5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(Br)ccc2OC)cc1
InChIInChI=1S/C19H21BrN2O3/c1-4-22(5-2)19(24)13-6-9-15(10-7-13)21-18(23)16-12-14(20)8-11-17(16)25-3/h6-12H,4-5H2,1-3H3,(H,21,23)
InChIKeyYTWIYDGBYOPNOJ-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.19
Rot. Bonds6

About 5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide

5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide (PubChem CID 17196839) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
PubChem CID17196839
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cc(Br)ccc2OC)cc1
InChIInChI=1S/C19H21BrN2O3/c1-4-22(5-2)19(24)13-6-9-15(10-7-13)21-18(23)16-12-14(20)8-11-17(16)25-3/h6-12H,4-5H2,1-3H3,(H,21,23)
InChIKeyYTWIYDGBYOPNOJ-UHFFFAOYSA-N
XLogP4.19
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide
CID 8503683
5-bromo-N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methoxybenzamide
CID 17229681
5-bromo-2-chloro-N-[4-(diethylcarbamoyl)phenyl]benzamide
CID 2603913
4-[[2-(2-acetyl-4-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 4782130
5-bromo-N-[4-[4-[(5-bromo-2-methoxybenzoyl)amino]phenoxy]phenyl]-2-methoxybenzamide
CID 17296371
propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 17050502
5-bromo-N-[[4-(diethylcarbamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide
CID 17197158
5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide
CID 17196231
5-bromo-2-methoxy-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 1299225
4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 34543253
N-[4-(diethylcarbamoyl)phenyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 34317168
N-[4-(diethylcarbamoyl)phenyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 8503672

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide?
The IUPAC name of 5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide (CID 17196839) is 5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide.
What is the SMILES notation for 5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide?
The canonical SMILES for 5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide is CCN(CC)C(=O)c1ccc(NC(=O)c2cc(Br)ccc2OC)cc1.
What is the InChIKey of 5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide?
The InChIKey is YTWIYDGBYOPNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-4-22(5-2)19(24)13-6-9-15(10-7-13)21-18(23)16-12-14(20)8-11-17(16)25-3/h6-12H,4-5H2,1-3H3,(H,21,23).
What are the key properties of 5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide?
5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide has a molecular weight of 405.29 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(diethylcarbamoyl)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 17196839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).