N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide

C29H25Cl2N3O3 — CID 17066264

IUPACN-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)cc1
InChIInChI=1S/C29H25Cl2N3O3/c1-19-5-7-21(8-6-19)29(36)34-17-15-33(16-18-34)27-23(31)3-2-4-24(27)32-28(35)26-14-13-25(37-26)20-9-11-22(30)12-10-20/h2-14H,15-18H2,1H3,(H,32,35)
InChIKeyKCPODRZFGBDVNT-UHFFFAOYSA-N
MW534.44 g/mol
LogP6.78
Rot. Bonds5

About N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide

N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide (PubChem CID 17066264) has the molecular formula C29H25Cl2N3O3 and a molecular weight of 534.44 g/mol. Its IUPAC name is N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
PubChem CID17066264
Molecular FormulaC29H25Cl2N3O3
Molecular Weight534.44 g/mol
Exact Mass533.13
IUPAC NameN-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide
SMILESCc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)cc1
InChIInChI=1S/C29H25Cl2N3O3/c1-19-5-7-21(8-6-19)29(36)34-17-15-33(16-18-34)27-23(31)3-2-4-24(27)32-28(35)26-14-13-25(37-26)20-9-11-22(30)12-10-20/h2-14H,15-18H2,1H3,(H,32,35)
InChIKeyKCPODRZFGBDVNT-UHFFFAOYSA-N
XLogP6.78
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.44
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 17066185
(E)-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enamide
CID 17066273
N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-2-methoxybenzamide
CID 17066211
N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
CID 17066177
2,5-dichloro-N-[[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 43914018
N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 3989552
N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 17066196
4-butoxy-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17066222
5-bromo-N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-2-methoxy-3-methylbenzamide
CID 17066233
N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide
CID 952476
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 17319178
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17117874

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The IUPAC name of N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide (CID 17066264) is N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide is Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)CC2)cc1.
What is the InChIKey of N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
The InChIKey is KCPODRZFGBDVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25Cl2N3O3/c1-19-5-7-21(8-6-19)29(36)34-17-15-33(16-18-34)27-23(31)3-2-4-24(27)32-28(35)26-14-13-25(37-26)20-9-11-22(30)12-10-20/h2-14H,15-18H2,1H3,(H,32,35).
What are the key properties of N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide?
N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide has a molecular weight of 534.44 g/mol, XLogP of 6.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-(4-chlorophenyl)furan-2-carboxamide is sourced from PubChem (CID 17066264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).