4-anilino-2,6-dibromo-3-methoxy-N,N-di(propan-2-yl)benzamide

C20H24Br2N2O2 — CID 134952331

IUPAC4-anilino-2,6-dibromo-3-methoxy-N,N-di(propan-2-yl)benzamide
SMILESCOc1c(Nc2ccccc2)cc(Br)c(C(=O)N(C(C)C)C(C)C)c1Br
InChIInChI=1S/C20H24Br2N2O2/c1-12(2)24(13(3)4)20(25)17-15(21)11-16(19(26-5)18(17)22)23-14-9-7-6-8-10-14/h6-13,23H,1-5H3
InChIKeyZHOSVQUIUCSWCJ-UHFFFAOYSA-N
MW484.23 g/mol
LogP6.22
Rot. Bonds6

About 4-anilino-2,6-dibromo-3-methoxy-N,N-di(propan-2-yl)benzamide

4-anilino-2,6-dibromo-3-methoxy-N,N-di(propan-2-yl)benzamide (PubChem CID 134952331) has the molecular formula C20H24Br2N2O2 and a molecular weight of 484.23 g/mol. Its IUPAC name is 4-anilino-2,6-dibromo-3-methoxy-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-anilino-2,6-dibromo-3-methoxy-N,N-di(propan-2-yl)benzamide
PubChem CID134952331
Molecular FormulaC20H24Br2N2O2
Molecular Weight484.23 g/mol
Exact Mass482.02
IUPAC Name4-anilino-2,6-dibromo-3-methoxy-N,N-di(propan-2-yl)benzamide
SMILESCOc1c(Nc2ccccc2)cc(Br)c(C(=O)N(C(C)C)C(C)C)c1Br
InChIInChI=1S/C20H24Br2N2O2/c1-12(2)24(13(3)4)20(25)17-15(21)11-16(19(26-5)18(17)22)23-14-9-7-6-8-10-14/h6-13,23H,1-5H3
InChIKeyZHOSVQUIUCSWCJ-UHFFFAOYSA-N
XLogP6.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.23
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-tribromo-3-methoxy-N,N-di(propan-2-yl)benzamide
CID 134967493
2-(4-bromo-3-methoxynaphthalen-2-yl)-N,N-di(propan-2-yl)benzamide
CID 101159147
3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide
CID 163283697
methyl N-[2,4-dianilino-5-(methoxycarbonylamino)phenyl]carbamate
CID 23026427
4-anilino-5-methoxy-6-oxopyran-2-carboxylic acid;ethane;methane
CID 172587807
2,4,5-trimethoxy-N-phenylaniline
CID 151522704
2-methoxy-N-phenylaniline
CID 10910514
methyl 2-anilino-4,5-dimethoxybenzoate
CID 71428699
1-(4-anilino-2-methoxyphenyl)-3-methylurea
CID 110178450
methyl 2-[di(propan-2-yl)carbamoyl]-4-phenylbenzoate
CID 102219452
1-(3-anilinothiophen-2-yl)-2,3-dimethylbutan-1-one
CID 16640249
2-isoquinolin-4-yl-6-methoxy-N,N-di(propan-2-yl)benzamide
CID 39781804

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2,6-dibromo-3-methoxy-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-anilino-2,6-dibromo-3-methoxy-N,N-di(propan-2-yl)benzamide (CID 134952331) is 4-anilino-2,6-dibromo-3-methoxy-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-anilino-2,6-dibromo-3-methoxy-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-anilino-2,6-dibromo-3-methoxy-N,N-di(propan-2-yl)benzamide is COc1c(Nc2ccccc2)cc(Br)c(C(=O)N(C(C)C)C(C)C)c1Br.
What is the InChIKey of 4-anilino-2,6-dibromo-3-methoxy-N,N-di(propan-2-yl)benzamide?
The InChIKey is ZHOSVQUIUCSWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Br2N2O2/c1-12(2)24(13(3)4)20(25)17-15(21)11-16(19(26-5)18(17)22)23-14-9-7-6-8-10-14/h6-13,23H,1-5H3.
What are the key properties of 4-anilino-2,6-dibromo-3-methoxy-N,N-di(propan-2-yl)benzamide?
4-anilino-2,6-dibromo-3-methoxy-N,N-di(propan-2-yl)benzamide has a molecular weight of 484.23 g/mol, XLogP of 6.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2,6-dibromo-3-methoxy-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 134952331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).