2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide

C27H32Br2N2O2 — CID 3410866

IUPAC2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(CC2CCC(NC(=O)c3ccccc3Br)CC2)CC1)c1ccccc1Br
InChIInChI=1S/C27H32Br2N2O2/c28-24-7-3-1-5-22(24)26(32)30-20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)31-27(33)23-6-2-4-8-25(23)29/h1-8,18-21H,9-17H2,(H,30,32)(H,31,33)
InChIKeyJQMAASINRIFUBO-UHFFFAOYSA-N
MW576.37 g/mol
LogP6.88
Rot. Bonds6

About 2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide

2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide (PubChem CID 3410866) has the molecular formula C27H32Br2N2O2 and a molecular weight of 576.37 g/mol. Its IUPAC name is 2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
PubChem CID3410866
Molecular FormulaC27H32Br2N2O2
Molecular Weight576.37 g/mol
Exact Mass574.08
IUPAC Name2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
SMILESO=C(NC1CCC(CC2CCC(NC(=O)c3ccccc3Br)CC2)CC1)c1ccccc1Br
InChIInChI=1S/C27H32Br2N2O2/c28-24-7-3-1-5-22(24)26(32)30-20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)31-27(33)23-6-2-4-8-25(23)29/h1-8,18-21H,9-17H2,(H,30,32)(H,31,33)
InChIKeyJQMAASINRIFUBO-UHFFFAOYSA-N
XLogP6.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.37
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110364
2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5173361
ethyl 4-[(2-bromobenzoyl)amino]cyclohexane-1-carboxylate
CID 60932818
2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide
CID 154739991
2-bromo-N-(cyclopropylmethylsulfonyl)benzamide
CID 129188643
2-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259720
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630141
methyl 4-[(2-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392152
2-bromo-N-[1-(2-phenylacetyl)piperidin-4-yl]benzamide
CID 108550222
4-[(2-bromobenzoyl)amino]-N,N-diethylpiperidine-1-carboxamide
CID 108559685
4-bromo-N-cyclopropylnaphthalene-1-carboxamide
CID 70699727
5-bromo-N-[4-[[4-[(5-bromofuran-2-carbonyl)amino]cyclohexyl]methyl]cyclohexyl]furan-2-carboxamide
CID 1083377

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide?
The IUPAC name of 2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide (CID 3410866) is 2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide is O=C(NC1CCC(CC2CCC(NC(=O)c3ccccc3Br)CC2)CC1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide?
The InChIKey is JQMAASINRIFUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Br2N2O2/c28-24-7-3-1-5-22(24)26(32)30-20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)31-27(33)23-6-2-4-8-25(23)29/h1-8,18-21H,9-17H2,(H,30,32)(H,31,33).
What are the key properties of 2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide?
2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide has a molecular weight of 576.37 g/mol, XLogP of 6.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide is sourced from PubChem (CID 3410866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).