N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-2-hydroxybenzamide

C25H25BrN2O4 — CID 1273056

IUPACN-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-2-hydroxybenzamide
SMILESO=C(c1ccccc1O)N(Cc1ccco1)C1(C(=O)Nc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C25H25BrN2O4/c26-18-10-12-19(13-11-18)27-24(31)25(14-4-1-5-15-25)28(17-20-7-6-16-32-20)23(30)21-8-2-3-9-22(21)29/h2-3,6-13,16,29H,1,4-5,14-15,17H2,(H,27,31)
InChIKeyJOUGTWLXFJFNQA-UHFFFAOYSA-N
MW497.39 g/mol
LogP5.73
Rot. Bonds6

About N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-2-hydroxybenzamide

N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-2-hydroxybenzamide (PubChem CID 1273056) has the molecular formula C25H25BrN2O4 and a molecular weight of 497.39 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-2-hydroxybenzamide
PubChem CID1273056
Molecular FormulaC25H25BrN2O4
Molecular Weight497.39 g/mol
Exact Mass496.10
IUPAC NameN-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-2-hydroxybenzamide
SMILESO=C(c1ccccc1O)N(Cc1ccco1)C1(C(=O)Nc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C25H25BrN2O4/c26-18-10-12-19(13-11-18)27-24(31)25(14-4-1-5-15-25)28(17-20-7-6-16-32-20)23(30)21-8-2-3-9-22(21)29/h2-3,6-13,16,29H,1,4-5,14-15,17H2,(H,27,31)
InChIKeyJOUGTWLXFJFNQA-UHFFFAOYSA-N
XLogP5.73
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.39
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-acetamidoacetyl)-benzylamino]-N-(4-bromophenyl)cyclohexane-1-carboxamide
CID 35215813
1-[[2-(3-amino-1H-1,2,4-triazol-5-yl)acetyl]-(furan-2-ylmethyl)amino]-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 1286281
2-chloro-N-[1-[(2,6-dimethylphenyl)carbamoyl]-4-methylcyclohexyl]-N-(furan-2-ylmethyl)benzamide
CID 1000389
N-[1-[(2,6-dimethylphenyl)carbamoyl]-4-methylcyclohexyl]-2-fluoro-N-(furan-2-ylmethyl)benzamide
CID 1490264
1-(4-bromophenyl)-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 2214985
3-(4-bromophenyl)-1-ethyl-1-(furan-2-ylmethyl)urea
CID 47031796
1-[furan-2-ylmethyl-[2-(4-phenyl-2-sulfanylideneimidazolidin-1-yl)acetyl]amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 5215214
3-(4-bromophenyl)-1-(furan-2-ylmethyl)-1-(2-phenylethyl)urea
CID 1058618
5-bromo-N-cyclopentyl-N-(furan-2-ylmethyl)-2-hydroxybenzamide
CID 112817353
1-[[2-(2,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-(3-methylphenyl)cyclopentane-1-carboxamide
CID 1047305
1-[[2-[(1R,3S)-2,2-dimethyl-3-(2-methyl-1H-indol-3-yl)cyclopropyl]acetyl]-(furan-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 17037661
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-2-hydroxybenzamide?
The IUPAC name of N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-2-hydroxybenzamide (CID 1273056) is N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-2-hydroxybenzamide.
What is the SMILES notation for N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-2-hydroxybenzamide?
The canonical SMILES for N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-2-hydroxybenzamide is O=C(c1ccccc1O)N(Cc1ccco1)C1(C(=O)Nc2ccc(Br)cc2)CCCCC1.
What is the InChIKey of N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-2-hydroxybenzamide?
The InChIKey is JOUGTWLXFJFNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25BrN2O4/c26-18-10-12-19(13-11-18)27-24(31)25(14-4-1-5-15-25)28(17-20-7-6-16-32-20)23(30)21-8-2-3-9-22(21)29/h2-3,6-13,16,29H,1,4-5,14-15,17H2,(H,27,31).
What are the key properties of N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-2-hydroxybenzamide?
N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-2-hydroxybenzamide has a molecular weight of 497.39 g/mol, XLogP of 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenyl)carbamoyl]cyclohexyl]-N-(furan-2-ylmethyl)-2-hydroxybenzamide is sourced from PubChem (CID 1273056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).