3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide

C18H20BrNO2 — CID 17355153

IUPAC3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide
SMILESCCN(C(=O)c1ccc(OC(C)C)c(Br)c1)c1ccccc1
InChIInChI=1S/C18H20BrNO2/c1-4-20(15-8-6-5-7-9-15)18(21)14-10-11-17(16(19)12-14)22-13(2)3/h5-13H,4H2,1-3H3
InChIKeyDRDYZCIUZNYHEP-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.90
Rot. Bonds5

About 3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide

3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide (PubChem CID 17355153) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide
PubChem CID17355153
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide
SMILESCCN(C(=O)c1ccc(OC(C)C)c(Br)c1)c1ccccc1
InChIInChI=1S/C18H20BrNO2/c1-4-20(15-8-6-5-7-9-15)18(21)14-10-11-17(16(19)12-14)22-13(2)3/h5-13H,4H2,1-3H3
InChIKeyDRDYZCIUZNYHEP-UHFFFAOYSA-N
XLogP4.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17072637
5-bromo-N-[3-[ethyl(phenyl)carbamoyl]phenyl]-2-propan-2-yloxybenzamide
CID 17222041
3-bromo-N-[2-(N-[3-bromo-4-(2-methylpropoxy)benzoyl]anilino)ethyl]-4-(2-methylpropoxy)-N-phenylbenzamide
CID 17352584
3-amino-4-bromo-N-ethyl-N-phenylbenzamide
CID 61090191
3-bromo-N-ethyl-N-(4-fluorophenyl)-4-methoxybenzamide
CID 60661053
2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid
CID 119179131
4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236
4-butoxy-N-ethyl-3-methoxy-N-phenylbenzamide
CID 134028659
3-bromo-4-ethoxy-N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]benzamide
CID 17222187
4-(difluoromethoxy)-N-ethyl-N-phenylbenzamide
CID 78793978
N-[[3-[ethyl(phenyl)carbamoyl]phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17222182
3-bromo-N-[2-(N-[3-bromo-4-(2-phenylethoxy)benzoyl]anilino)ethyl]-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17073276

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide?
The IUPAC name of 3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide (CID 17355153) is 3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide is CCN(C(=O)c1ccc(OC(C)C)c(Br)c1)c1ccccc1.
What is the InChIKey of 3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide?
The InChIKey is DRDYZCIUZNYHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-4-20(15-8-6-5-7-9-15)18(21)14-10-11-17(16(19)12-14)22-13(2)3/h5-13H,4H2,1-3H3.
What are the key properties of 3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide?
3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide has a molecular weight of 362.27 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide is sourced from PubChem (CID 17355153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).