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

C21H19BrN2O5 — CID 2212927

IUPACN-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc1Br
InChIInChI=1S/C21H19BrN2O5/c1-3-28-17-8-6-13(11-15(17)22)20(25)24-16-12-14(7-9-18(16)27-2)23-21(26)19-5-4-10-29-19/h4-12H,3H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyHNKMUMWHCFQEKK-UHFFFAOYSA-N
MW459.30 g/mol
LogP4.95
Rot. Bonds7

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

N-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide (PubChem CID 2212927) has the molecular formula C21H19BrN2O5 and a molecular weight of 459.30 g/mol. Its IUPAC name is N-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide
PubChem CID2212927
Molecular FormulaC21H19BrN2O5
Molecular Weight459.30 g/mol
Exact Mass458.05
IUPAC NameN-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide
SMILESCCOc1ccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc1Br
InChIInChI=1S/C21H19BrN2O5/c1-3-28-17-8-6-13(11-15(17)22)20(25)24-16-12-14(7-9-18(16)27-2)23-21(26)19-5-4-10-29-19/h4-12H,3H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyHNKMUMWHCFQEKK-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-[4-[(3-bromo-4-ethoxybenzoyl)amino]-2-methoxyphenyl]furan-2-carboxamide
CID 1015959
N-[3-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 3913489
N-[4-methoxy-3-[(4-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 655668
N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2913347
N-[3-[(4-bromobenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 5091898
N-[3-[(3-chloro-4-methoxybenzoyl)carbamothioylamino]-4-methoxyphenyl]furan-2-carboxamide
CID 3676209
N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 4788258
N-[[5-[(3-bromo-4-ethoxyphenyl)sulfamoyl]-2-methoxyphenyl]carbamothioyl]furan-2-carboxamide
CID 4603438
N-[4-[(4-ethoxy-3-methylbenzoyl)amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86938042
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-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide (CID 2212927) is N-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide is CCOc1ccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc1Br.
What is the InChIKey of N-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide?
The InChIKey is HNKMUMWHCFQEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O5/c1-3-28-17-8-6-13(11-15(17)22)20(25)24-16-12-14(7-9-18(16)27-2)23-21(26)19-5-4-10-29-19/h4-12H,3H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide?
N-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-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-[3-[(3-bromo-4-ethoxybenzoyl)amino]-4-methoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 2212927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).