N-[2-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-propan-2-yloxybenzamide

C25H25BrN2O3 — CID 17355287

IUPACN-[2-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1Br
InChIInChI=1S/C25H25BrN2O3/c1-17(2)31-23-14-13-19(15-21(23)26)24(29)27-22-12-8-7-11-20(22)25(30)28(3)16-18-9-5-4-6-10-18/h4-15,17H,16H2,1-3H3,(H,27,29)
InChIKeyMPRNKGBGIZFROD-UHFFFAOYSA-N
MW481.39 g/mol
LogP5.76
Rot. Bonds7

About N-[2-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-propan-2-yloxybenzamide

N-[2-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-propan-2-yloxybenzamide (PubChem CID 17355287) has the molecular formula C25H25BrN2O3 and a molecular weight of 481.39 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-propan-2-yloxybenzamide
PubChem CID17355287
Molecular FormulaC25H25BrN2O3
Molecular Weight481.39 g/mol
Exact Mass480.10
IUPAC NameN-[2-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1Br
InChIInChI=1S/C25H25BrN2O3/c1-17(2)31-23-14-13-19(15-21(23)26)24(29)27-22-12-8-7-11-20(22)25(30)28(3)16-18-9-5-4-6-10-18/h4-15,17H,16H2,1-3H3,(H,27,29)
InChIKeyMPRNKGBGIZFROD-UHFFFAOYSA-N
XLogP5.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.39
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioyl]-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17356979
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992
N-benzyl-2-[(4-tert-butylbenzoyl)amino]-N-methylbenzamide
CID 4937393
2-benzamido-N-[(4-bromophenyl)methyl]-N-methylbenzamide
CID 32892148
3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide
CID 17355255
3-bromo-N-[2-(2-phenoxyethoxy)phenyl]-4-propan-2-yloxybenzamide
CID 17130977
N-[4-[[(3-bromo-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 17355526
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
3-bromo-4-(2-phenylethoxy)-N-[2-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17072789
3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151006
N-benzyl-N-methyl-2-(2-methylpropanoylamino)benzamide
CID 30336748
3-bromo-N-[2-(dimethylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17342801

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-propan-2-yloxybenzamide?
The IUPAC name of N-[2-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-propan-2-yloxybenzamide (CID 17355287) is N-[2-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)N(C)Cc2ccccc2)cc1Br.
What is the InChIKey of N-[2-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-propan-2-yloxybenzamide?
The InChIKey is MPRNKGBGIZFROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O3/c1-17(2)31-23-14-13-19(15-21(23)26)24(29)27-22-12-8-7-11-20(22)25(30)28(3)16-18-9-5-4-6-10-18/h4-15,17H,16H2,1-3H3,(H,27,29).
What are the key properties of N-[2-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-propan-2-yloxybenzamide?
N-[2-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-propan-2-yloxybenzamide has a molecular weight of 481.39 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-propan-2-yloxybenzamide is sourced from PubChem (CID 17355287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).