N-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide

C23H21BrN2O3 — CID 34012584

IUPACN-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CNC(=O)C2(c3ccc(Br)cc3)CCC2)cc1)c1ccco1
InChIInChI=1S/C23H21BrN2O3/c24-18-8-6-17(7-9-18)23(12-2-13-23)22(28)25-15-16-4-10-19(11-5-16)26-21(27)20-3-1-14-29-20/h1,3-11,14H,2,12-13,15H2,(H,25,28)(H,26,27)
InChIKeyAPGIMHCBZWXOMJ-UHFFFAOYSA-N
MW453.34 g/mol
LogP5.03
Rot. Bonds6

About N-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 34012584) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is N-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide
PubChem CID34012584
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC NameN-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(CNC(=O)C2(c3ccc(Br)cc3)CCC2)cc1)c1ccco1
InChIInChI=1S/C23H21BrN2O3/c24-18-8-6-17(7-9-18)23(12-2-13-23)22(28)25-15-16-4-10-19(11-5-16)26-21(27)20-3-1-14-29-20/h1,3-11,14H,2,12-13,15H2,(H,25,28)(H,26,27)
InChIKeyAPGIMHCBZWXOMJ-UHFFFAOYSA-N
XLogP5.03
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[3-[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]-4-methylphenyl]furan-2-carboxamide
CID 28624182
N-[4-[[(1-cyanocyclopentanecarbonyl)amino]methyl]phenyl]furan-2-carboxamide
CID 39856169
N-[4-[[[1-(aminomethyl)cyclopentanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119700826
N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide
CID 42017935
N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 78870406
1-(4-acetamidophenyl)-N-[(4-fluorophenyl)methyl]cyclobutane-1-carboxamide
CID 53110556
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
3-[[[1-(4-bromophenyl)cyclopentanecarbonyl]amino]methyl]-N-methylbenzamide
CID 33205066
N-[4-[[[4-(4-bromopyrazol-1-yl)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 55602278
N-[4-(bromomethyl)phenyl]furan-2-carboxamide
CID 114310940
ethyl 2-[4-[1-(benzylcarbamoyl)cyclobutyl]anilino]-2-oxoacetate
CID 50827081
N-[3-[[[1-(4-bromophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]-4-fluorobenzamide
CID 52702994

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide (CID 34012584) is N-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide is O=C(Nc1ccc(CNC(=O)C2(c3ccc(Br)cc3)CCC2)cc1)c1ccco1.
What is the InChIKey of N-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is APGIMHCBZWXOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3/c24-18-8-6-17(7-9-18)23(12-2-13-23)22(28)25-15-16-4-10-19(11-5-16)26-21(27)20-3-1-14-29-20/h1,3-11,14H,2,12-13,15H2,(H,25,28)(H,26,27).
What are the key properties of N-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 453.34 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[1-(4-bromophenyl)cyclobutanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 34012584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).