N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide

C20H18BrN3O3 — CID 78870406

IUPACN-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1Br
InChIInChI=1S/C20H18BrN3O3/c1-13-4-7-16(11-17(13)21)24-20(26)22-12-14-5-8-15(9-6-14)23-19(25)18-3-2-10-27-18/h2-11H,12H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyUEXBBYJATSQRQC-UHFFFAOYSA-N
MW428.29 g/mol
LogP4.92
Rot. Bonds5

About N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide

N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide (PubChem CID 78870406) has the molecular formula C20H18BrN3O3 and a molecular weight of 428.29 g/mol. Its IUPAC name is N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
PubChem CID78870406
Molecular FormulaC20H18BrN3O3
Molecular Weight428.29 g/mol
Exact Mass427.05
IUPAC NameN-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1Br
InChIInChI=1S/C20H18BrN3O3/c1-13-4-7-16(11-17(13)21)24-20(26)22-12-14-5-8-15(9-6-14)23-19(25)18-3-2-10-27-18/h2-11H,12H2,1H3,(H,23,25)(H2,22,24,26)
InChIKeyUEXBBYJATSQRQC-UHFFFAOYSA-N
XLogP4.92
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-4-[(4-methylphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 60544197
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
N-[4-[(3-methoxyphenyl)methylcarbamoylamino]phenyl]furan-2-carboxamide
CID 38205484
N-[2-[(3,4-dimethylphenyl)carbamoylamino]ethyl]furan-2-carboxamide
CID 47031833
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061
N-[4-[[1-(2-methylphenyl)ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 42935867
1-(3-bromo-4-methylphenyl)-3-[[4-(2-methoxyethoxy)phenyl]methyl]urea
CID 78874640
N-[2-[[4-(benzylcarbamoylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062902
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 42018071
N-[3-[(naphthalen-2-ylcarbamoylamino)methyl]phenyl]furan-2-carboxamide
CID 78871658
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51327722
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide (CID 78870406) is N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide is Cc1ccc(NC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1Br.
What is the InChIKey of N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is UEXBBYJATSQRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O3/c1-13-4-7-16(11-17(13)21)24-20(26)22-12-14-5-8-15(9-6-14)23-19(25)18-3-2-10-27-18/h2-11H,12H2,1H3,(H,23,25)(H2,22,24,26).
What are the key properties of N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 428.29 g/mol, XLogP of 4.92, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-bromo-4-methylphenyl)carbamoylamino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 78870406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).