N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide

C21H13Cl2N3O2 — CID 46267588

IUPACN-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1)c1ccco1
InChIInChI=1S/C21H13Cl2N3O2/c22-15-7-3-13(4-8-15)17-12-18(14-5-9-16(23)10-6-14)25-21(24-17)26-20(27)19-2-1-11-28-19/h1-12H,(H,24,25,26,27)
InChIKeyGOJALRBUFNIBFM-UHFFFAOYSA-N
MW410.26 g/mol
LogP5.96
Rot. Bonds4

About N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide

N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide (PubChem CID 46267588) has the molecular formula C21H13Cl2N3O2 and a molecular weight of 410.26 g/mol. Its IUPAC name is N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide
PubChem CID46267588
Molecular FormulaC21H13Cl2N3O2
Molecular Weight410.26 g/mol
Exact Mass409.04
IUPAC NameN-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1)c1ccco1
InChIInChI=1S/C21H13Cl2N3O2/c22-15-7-3-13(4-8-15)17-12-18(14-5-9-16(23)10-6-14)25-21(24-17)26-20(27)19-2-1-11-28-19/h1-12H,(H,24,25,26,27)
InChIKeyGOJALRBUFNIBFM-UHFFFAOYSA-N
XLogP5.96
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.26
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)furan-2-carboxamide
CID 3105425
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]furan-2-carboxamide
CID 4897487
N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55933881
N-[4-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-yl]benzamide
CID 20896243
N-(5-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 16764509
N-[4-[(4-chlorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 823701
5-chloro-2-(furan-2-carbonylamino)benzoic acid
CID 16777457
2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide
CID 5198522
N-[4-(4-chlorophenyl)-6-(4-fluorophenyl)pyrimidin-2-yl]pyridine-3-carboxamide
CID 155927543
N-[2-[(4-chlorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 722967
N-(6-chloroquinolin-8-yl)furan-2-carboxamide
CID 60729929
N-(2,6-dibromo-4-chlorophenyl)furan-2-carboxamide
CID 4192583

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide (CID 46267588) is N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide is O=C(Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)n1)c1ccco1.
What is the InChIKey of N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide?
The InChIKey is GOJALRBUFNIBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3O2/c22-15-7-3-13(4-8-15)17-12-18(14-5-9-16(23)10-6-14)25-21(24-17)26-20(27)19-2-1-11-28-19/h1-12H,(H,24,25,26,27).
What are the key properties of N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide?
N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide has a molecular weight of 410.26 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide is sourced from PubChem (CID 46267588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).