3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide

C30H26Br2N2O2 — CID 4511439

IUPAC3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)N(CCN(C(=O)c2ccc(C)c(Br)c2)c2ccccc2)c2ccccc2)cc1Br
InChIInChI=1S/C30H26Br2N2O2/c1-21-13-15-23(19-27(21)31)29(35)33(25-9-5-3-6-10-25)17-18-34(26-11-7-4-8-12-26)30(36)24-16-14-22(2)28(32)20-24/h3-16,19-20H,17-18H2,1-2H3
InChIKeyYIHSUMIUPCGYOY-UHFFFAOYSA-N
MW606.36 g/mol
LogP7.82
Rot. Bonds7

About 3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide

3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide (PubChem CID 4511439) has the molecular formula C30H26Br2N2O2 and a molecular weight of 606.36 g/mol. Its IUPAC name is 3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide
PubChem CID4511439
Molecular FormulaC30H26Br2N2O2
Molecular Weight606.36 g/mol
Exact Mass604.04
IUPAC Name3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide
SMILESCc1ccc(C(=O)N(CCN(C(=O)c2ccc(C)c(Br)c2)c2ccccc2)c2ccccc2)cc1Br
InChIInChI=1S/C30H26Br2N2O2/c1-21-13-15-23(19-27(21)31)29(35)33(25-9-5-3-6-10-25)17-18-34(26-11-7-4-8-12-26)30(36)24-16-14-22(2)28(32)20-24/h3-16,19-20H,17-18H2,1-2H3
InChIKeyYIHSUMIUPCGYOY-UHFFFAOYSA-N
XLogP7.82
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.36
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-[2-(N-(3-bromo-4-tert-butylbenzoyl)anilino)ethyl]-4-tert-butyl-N-phenylbenzamide
CID 3893381
3-bromo-N-ethyl-4-methyl-N-(2-methylphenyl)benzamide
CID 79467562
N-(3-aminophenyl)-3-bromo-N-ethyl-4-methylbenzamide
CID 81471443
3-bromo-N-[2-(N-[3-bromo-4-(2-methylpropoxy)benzoyl]anilino)ethyl]-4-(2-methylpropoxy)-N-phenylbenzamide
CID 17352584
N-butyl-3-hydroxy-4-methyl-N-phenylbenzamide
CID 64585980
N-benzyl-3-bromo-4-methyl-N-propylbenzamide
CID 81458013
3-bromo-N-[2-(N-[3-bromo-4-(2-phenylethoxy)benzoyl]anilino)ethyl]-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17073276
N-benzyl-3-bromo-4-methyl-N-propan-2-ylbenzamide
CID 81457215
3-bromo-N-butyl-N-phenylbenzamide
CID 17256559
2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid
CID 103841255
N-(cyanomethyl)-3,4-dimethyl-N-phenylbenzamide
CID 82133612
3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide
CID 81472236

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide?
The IUPAC name of 3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide (CID 4511439) is 3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide is Cc1ccc(C(=O)N(CCN(C(=O)c2ccc(C)c(Br)c2)c2ccccc2)c2ccccc2)cc1Br.
What is the InChIKey of 3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide?
The InChIKey is YIHSUMIUPCGYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Br2N2O2/c1-21-13-15-23(19-27(21)31)29(35)33(25-9-5-3-6-10-25)17-18-34(26-11-7-4-8-12-26)30(36)24-16-14-22(2)28(32)20-24/h3-16,19-20H,17-18H2,1-2H3.
What are the key properties of 3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide?
3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide has a molecular weight of 606.36 g/mol, XLogP of 7.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(N-(3-bromo-4-methylbenzoyl)anilino)ethyl]-4-methyl-N-phenylbenzamide is sourced from PubChem (CID 4511439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).