N-[2-chloro-5-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide

C19H14ClN3O6 — CID 1123641

IUPACN-[2-chloro-5-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C19H14ClN3O6/c20-13-8-7-12(10-14(13)22-19(25)17-6-3-9-28-17)21-18(24)11-29-16-5-2-1-4-15(16)23(26)27/h1-10H,11H2,(H,21,24)(H,22,25)
InChIKeyFHIZRLICMFJYJH-UHFFFAOYSA-N
MW415.79 g/mol
LogP4.11
Rot. Bonds7

About N-[2-chloro-5-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide

N-[2-chloro-5-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 1123641) has the molecular formula C19H14ClN3O6 and a molecular weight of 415.79 g/mol. Its IUPAC name is N-[2-chloro-5-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID1123641
Molecular FormulaC19H14ClN3O6
Molecular Weight415.79 g/mol
Exact Mass415.06
IUPAC NameN-[2-chloro-5-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(NC(=O)c2ccco2)c1
InChIInChI=1S/C19H14ClN3O6/c20-13-8-7-12(10-14(13)22-19(25)17-6-3-9-28-17)21-18(24)11-29-16-5-2-1-4-15(16)23(26)27/h1-10H,11H2,(H,21,24)(H,22,25)
InChIKeyFHIZRLICMFJYJH-UHFFFAOYSA-N
XLogP4.11
TPSA123.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.79
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-5-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 5346300
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 3161355
N-[3-[[2-(2,5-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 24647647
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(2-nitrophenoxy)acetamide
CID 1123640
N-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide
CID 168521364
1-(furan-2-yl)-2-(2-nitrophenoxy)ethanone
CID 60625939
N-(3,5-difluorophenyl)-2-(2-nitrophenoxy)acetamide
CID 41161775
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methylphenyl]furan-2-carboxamide
CID 1086039
N-(3,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 2500616
N-[4-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204887
N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17359174
N-[2-chloro-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 23798450

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-chloro-5-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide (CID 1123641) is N-[2-chloro-5-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-chloro-5-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide is O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Cl)c(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[2-chloro-5-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is FHIZRLICMFJYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O6/c20-13-8-7-12(10-14(13)22-19(25)17-6-3-9-28-17)21-18(24)11-29-16-5-2-1-4-15(16)23(26)27/h1-10H,11H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-chloro-5-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
N-[2-chloro-5-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 415.79 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[2-(2-nitrophenoxy)acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1123641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).