N-(3-chloro-9,10-dioxoanthracen-2-yl)furan-2-carboxamide

C19H10ClNO4 — CID 4022142

IUPACN-(3-chloro-9,10-dioxoanthracen-2-yl)furan-2-carboxamide
SMILESO=C(Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O)c1ccco1
InChIInChI=1S/C19H10ClNO4/c20-14-8-12-13(9-15(14)21-19(24)16-6-3-7-25-16)18(23)11-5-2-1-4-10(11)17(12)22/h1-9H,(H,21,24)
InChIKeyCFALZSYZCDLOPX-UHFFFAOYSA-N
MW351.75 g/mol
LogP3.96
Rot. Bonds2

About N-(3-chloro-9,10-dioxoanthracen-2-yl)furan-2-carboxamide

N-(3-chloro-9,10-dioxoanthracen-2-yl)furan-2-carboxamide (PubChem CID 4022142) has the molecular formula C19H10ClNO4 and a molecular weight of 351.75 g/mol. Its IUPAC name is N-(3-chloro-9,10-dioxoanthracen-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-9,10-dioxoanthracen-2-yl)furan-2-carboxamide
PubChem CID4022142
Molecular FormulaC19H10ClNO4
Molecular Weight351.75 g/mol
Exact Mass351.03
IUPAC NameN-(3-chloro-9,10-dioxoanthracen-2-yl)furan-2-carboxamide
SMILESO=C(Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O)c1ccco1
InChIInChI=1S/C19H10ClNO4/c20-14-8-12-13(9-15(14)21-19(24)16-6-3-7-25-16)18(23)11-5-2-1-4-10(11)17(12)22/h1-9H,(H,21,24)
InChIKeyCFALZSYZCDLOPX-UHFFFAOYSA-N
XLogP3.96
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.75
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-(7-chloro-1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)furan-2-carboxamide
CID 22433465
N-[2-chloro-4-(3-oxo-1H-isoindol-2-yl)phenyl]furan-2-carboxamide
CID 91678008
N-[2-chloro-4-[(2-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 4308074
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
(Z)-4-[(3-chloro-9,10-dioxoanthracen-2-yl)amino]-4-oxobut-2-enoic acid
CID 18877481
N-[2-(2-chlorophenoxy)phenyl]furan-2-carboxamide
CID 17468939
N-[2-chloro-5-[(2-cyanoacetyl)amino]phenyl]furan-2-carboxamide
CID 168521364
N-[2-[(2-chlorophenyl)carbamoyl]-4-iodophenyl]furan-2-carboxamide
CID 1305585
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]furan-2-carboxamide
CID 3132085
N-[2-chloro-4-(1,2,4-triazol-4-yl)phenyl]furan-2-carboxamide
CID 50882067

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-9,10-dioxoanthracen-2-yl)furan-2-carboxamide?
The IUPAC name of N-(3-chloro-9,10-dioxoanthracen-2-yl)furan-2-carboxamide (CID 4022142) is N-(3-chloro-9,10-dioxoanthracen-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(3-chloro-9,10-dioxoanthracen-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(3-chloro-9,10-dioxoanthracen-2-yl)furan-2-carboxamide is O=C(Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O)c1ccco1.
What is the InChIKey of N-(3-chloro-9,10-dioxoanthracen-2-yl)furan-2-carboxamide?
The InChIKey is CFALZSYZCDLOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10ClNO4/c20-14-8-12-13(9-15(14)21-19(24)16-6-3-7-25-16)18(23)11-5-2-1-4-10(11)17(12)22/h1-9H,(H,21,24).
What are the key properties of N-(3-chloro-9,10-dioxoanthracen-2-yl)furan-2-carboxamide?
N-(3-chloro-9,10-dioxoanthracen-2-yl)furan-2-carboxamide has a molecular weight of 351.75 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-9,10-dioxoanthracen-2-yl)furan-2-carboxamide is sourced from PubChem (CID 4022142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).