N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide

C19H15Cl2N3O3 — CID 60537038

IUPACN-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H15Cl2N3O3/c20-12-3-1-4-14(9-12)23-18(25)11-22-15-7-6-13(21)10-16(15)24-19(26)17-5-2-8-27-17/h1-10,22H,11H2,(H,23,25)(H,24,26)
InChIKeyCYXXUTOIRXPLNI-UHFFFAOYSA-N
MW404.25 g/mol
LogP4.89
Rot. Bonds6

About N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide

N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide (PubChem CID 60537038) has the molecular formula C19H15Cl2N3O3 and a molecular weight of 404.25 g/mol. Its IUPAC name is N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
PubChem CID60537038
Molecular FormulaC19H15Cl2N3O3
Molecular Weight404.25 g/mol
Exact Mass403.05
IUPAC NameN-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)Nc1cccc(Cl)c1
InChIInChI=1S/C19H15Cl2N3O3/c20-12-3-1-4-14(9-12)23-18(25)11-22-15-7-6-13(21)10-16(15)24-19(26)17-5-2-8-27-17/h1-10,22H,11H2,(H,23,25)(H,24,26)
InChIKeyCYXXUTOIRXPLNI-UHFFFAOYSA-N
XLogP4.89
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-[[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 55729289
N-[4-[[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 52690705
N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843288
N-(3-chlorophenyl)-2-(2,3-difluoroanilino)acetamide
CID 47336969
N-[2-chloro-4-[(3-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 171982278
N-[5-chloro-2-[(3-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 55645358
N-[4-[(3-chlorophenyl)carbamoylamino]-2,5-dimethoxyphenyl]furan-2-carboxamide
CID 648612
N-[5-chloro-2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]furan-2-carboxamide
CID 55932482
[2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8871080
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55933881

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide (CID 60537038) is N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide is O=C(CNc1ccc(Cl)cc1NC(=O)c1ccco1)Nc1cccc(Cl)c1.
What is the InChIKey of N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is CYXXUTOIRXPLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3/c20-12-3-1-4-14(9-12)23-18(25)11-22-15-7-6-13(21)10-16(15)24-19(26)17-5-2-8-27-17/h1-10,22H,11H2,(H,23,25)(H,24,26).
What are the key properties of N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide?
N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 404.25 g/mol, XLogP of 4.89, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[[2-(3-chloroanilino)-2-oxoethyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 60537038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).