N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide

C21H19BrN2O5 — CID 1015959

IUPACN-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)cc1Br
InChIInChI=1S/C21H19BrN2O5/c1-3-28-17-9-6-13(11-15(17)22)20(25)23-14-7-8-16(19(12-14)27-2)24-21(26)18-5-4-10-29-18/h4-12H,3H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOQKYOLSGZFKURJ-UHFFFAOYSA-N
MW459.30 g/mol
LogP4.95
Rot. Bonds7

About N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide

N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide (PubChem CID 1015959) has the molecular formula C21H19BrN2O5 and a molecular weight of 459.30 g/mol. Its IUPAC name is N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide
PubChem CID1015959
Molecular FormulaC21H19BrN2O5
Molecular Weight459.30 g/mol
Exact Mass458.05
IUPAC NameN-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)cc1Br
InChIInChI=1S/C21H19BrN2O5/c1-3-28-17-9-6-13(11-15(17)22)20(25)23-14-7-8-16(19(12-14)27-2)24-21(26)18-5-4-10-29-18/h4-12H,3H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOQKYOLSGZFKURJ-UHFFFAOYSA-N
XLogP4.95
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.30
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide
CID 2212927
N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2913347
N-[2-methoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2886874
N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86938042
N-[4-(furan-2-carbonylamino)-3-methoxyphenyl]-1,3-benzodioxole-5-carboxamide
CID 1090058
N-[3-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 3913489
N-[2-methoxy-4-[(3-phenylmethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 5348268
N-[4-methoxy-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 655668
N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4788258
N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1112721
N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 42014838
N-(3-ethyl-4-methoxyphenyl)furan-2-carboxamide
CID 110777193

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide (CID 1015959) is N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide is CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)cc1Br.
What is the InChIKey of N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide?
The InChIKey is OQKYOLSGZFKURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O5/c1-3-28-17-9-6-13(11-15(17)22)20(25)23-14-7-8-16(19(12-14)27-2)24-21(26)18-5-4-10-29-18/h4-12H,3H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide?
N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide has a molecular weight of 459.30 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 1015959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).