N-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide

C24H15ClN2O6 — CID 2953430

IUPACN-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
SMILESO=C(C=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C24H15ClN2O6/c25-20-14-17(27(30)31)7-10-19(20)22-12-9-18(33-22)8-11-21(28)15-3-5-16(6-4-15)26-24(29)23-2-1-13-32-23/h1-14H,(H,26,29)
InChIKeyZZURVYXMQKDBBD-UHFFFAOYSA-N
MW462.85 g/mol
LogP6.25
Rot. Bonds7

About N-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide

N-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide (PubChem CID 2953430) has the molecular formula C24H15ClN2O6 and a molecular weight of 462.85 g/mol. Its IUPAC name is N-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
PubChem CID2953430
Molecular FormulaC24H15ClN2O6
Molecular Weight462.85 g/mol
Exact Mass462.06
IUPAC NameN-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
SMILESO=C(C=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C24H15ClN2O6/c25-20-14-17(27(30)31)7-10-19(20)22-12-9-18(33-22)8-11-21(28)15-3-5-16(6-4-15)26-24(29)23-2-1-13-32-23/h1-14H,(H,26,29)
InChIKeyZZURVYXMQKDBBD-UHFFFAOYSA-N
XLogP6.25
TPSA115.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.85
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 4736219
N-[3-[3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 4736046
N-[3-[3-[5-(4-methyl-2-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
CID 4736077
(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoate
CID 7174466
(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl chloride
CID 17274097
N-[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 17359174
1-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 1379769
5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide
CID 1307127
3-[5-(2,5-dichlorophenyl)furan-2-yl]-1-(3-nitrophenyl)prop-2-en-1-one
CID 4736214
N-[3-[(2-chloro-5-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 40510567
N-[3-[(4-nitrobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1333464
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7368852

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide (CID 2953430) is N-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide is O=C(C=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide?
The InChIKey is ZZURVYXMQKDBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN2O6/c25-20-14-17(27(30)31)7-10-19(20)22-12-9-18(33-22)8-11-21(28)15-3-5-16(6-4-15)26-24(29)23-2-1-13-32-23/h1-14H,(H,26,29).
What are the key properties of N-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide?
N-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide has a molecular weight of 462.85 g/mol, XLogP of 6.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 2953430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).