2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide

C15H18BrN3O3 — CID 154739991

IUPAC2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide
SMILESNC(=O)NC(=O)C1CCC(NC(=O)c2ccccc2Br)CC1
InChIInChI=1S/C15H18BrN3O3/c16-12-4-2-1-3-11(12)14(21)18-10-7-5-9(6-8-10)13(20)19-15(17)22/h1-4,9-10H,5-8H2,(H,18,21)(H3,17,19,20,22)
InChIKeyFNJJPJUDALKMKX-UHFFFAOYSA-N
MW368.23 g/mol
LogP1.93
Rot. Bonds3

About 2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide

2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide (PubChem CID 154739991) has the molecular formula C15H18BrN3O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is 2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide
PubChem CID154739991
Molecular FormulaC15H18BrN3O3
Molecular Weight368.23 g/mol
Exact Mass367.05
IUPAC Name2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide
SMILESNC(=O)NC(=O)C1CCC(NC(=O)c2ccccc2Br)CC1
InChIInChI=1S/C15H18BrN3O3/c16-12-4-2-1-3-11(12)14(21)18-10-7-5-9(6-8-10)13(20)19-15(17)22/h1-4,9-10H,5-8H2,(H,18,21)(H3,17,19,20,22)
InChIKeyFNJJPJUDALKMKX-UHFFFAOYSA-N
XLogP1.93
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110364
ethyl 4-[(2-bromobenzoyl)amino]cyclohexane-1-carboxylate
CID 60932818
2-bromo-N-[4-[[4-[(2-bromobenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 3410866
N-[4-(carbamoylcarbamoyl)cyclohexyl]-2,5-dimethylfuran-3-carboxamide
CID 154740005
N-[4-(carbamoylcarbamoyl)cyclohexyl]quinoline-3-carboxamide
CID 154737484
N-[1-(2-bromobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60758403
2-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 60630141
2-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259720
methyl 4-[(2-bromobenzoyl)amino]piperidine-1-carboxylate
CID 47392152
2,4-dibromo-N-(4-chlorocyclohexyl)benzamide
CID 107941133
(2-bromophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917636
4-bromo-N-cyclopropylnaphthalene-1-carboxamide
CID 70699727

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide?
The IUPAC name of 2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide (CID 154739991) is 2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide.
What is the SMILES notation for 2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide?
The canonical SMILES for 2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide is NC(=O)NC(=O)C1CCC(NC(=O)c2ccccc2Br)CC1.
What is the InChIKey of 2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide?
The InChIKey is FNJJPJUDALKMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3/c16-12-4-2-1-3-11(12)14(21)18-10-7-5-9(6-8-10)13(20)19-15(17)22/h1-4,9-10H,5-8H2,(H,18,21)(H3,17,19,20,22).
What are the key properties of 2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide?
2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide has a molecular weight of 368.23 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide is sourced from PubChem (CID 154739991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).