4-[3-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide

C25H24Cl3N5O3 — CID 11541237

IUPAC4-[3-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cccc(N2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)c1
InChIInChI=1S/C25H24Cl3N5O3/c1-36-22-9-8-16(26)14-21(22)30-24(34)29-17-4-2-5-18(15-17)32-10-12-33(13-11-32)25(35)31-23-19(27)6-3-7-20(23)28/h2-9,14-15H,10-13H2,1H3,(H,31,35)(H2,29,30,34)
InChIKeyVRVNICOMWMSKPN-UHFFFAOYSA-N
MW548.86 g/mol
LogP6.65
Rot. Bonds5

About 4-[3-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide

4-[3-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 11541237) has the molecular formula C25H24Cl3N5O3 and a molecular weight of 548.86 g/mol. Its IUPAC name is 4-[3-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
PubChem CID11541237
Molecular FormulaC25H24Cl3N5O3
Molecular Weight548.86 g/mol
Exact Mass547.09
IUPAC Name4-[3-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1cccc(N2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)c1
InChIInChI=1S/C25H24Cl3N5O3/c1-36-22-9-8-16(26)14-21(22)30-24(34)29-17-4-2-5-18(15-17)32-10-12-33(13-11-32)25(35)31-23-19(27)6-3-7-20(23)28/h2-9,14-15H,10-13H2,1H3,(H,31,35)(H2,29,30,34)
InChIKeyVRVNICOMWMSKPN-UHFFFAOYSA-N
XLogP6.65
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.86
LogP ≤ 56.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 91077574
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 91192403
N-(5-chloro-2-methoxyphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111620
N-(5-chloro-2-methoxyphenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 3871737
methyl 4-[(5-chloro-2-methoxyphenyl)carbamoyl]piperazine-1-carboxylate
CID 108875630
4-(4-carbamoylphenyl)-N-(2-chloro-6-methoxyphenyl)piperazine-1-carboxamide
CID 167764760
4-(3-chlorophenyl)-N-(2-methoxy-4-methylphenyl)piperazine-1-carboxamide
CID 60562585
1-(5-chloro-2-methoxyphenyl)-3-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]urea
CID 71840001
4-(5-chloro-2-methoxyphenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113441
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 60554267
N-(3-chlorophenyl)-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 78819248
N-(2,6-dichlorophenyl)-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 3696119

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[3-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide (CID 11541237) is 4-[3-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[3-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[3-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide is COc1ccc(Cl)cc1NC(=O)Nc1cccc(N2CCN(C(=O)Nc3c(Cl)cccc3Cl)CC2)c1.
What is the InChIKey of 4-[3-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is VRVNICOMWMSKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl3N5O3/c1-36-22-9-8-16(26)14-21(22)30-24(34)29-17-4-2-5-18(15-17)32-10-12-33(13-11-32)25(35)31-23-19(27)6-3-7-20(23)28/h2-9,14-15H,10-13H2,1H3,(H,31,35)(H2,29,30,34).
What are the key properties of 4-[3-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide?
4-[3-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide has a molecular weight of 548.86 g/mol, XLogP of 6.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-N-(2,6-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 11541237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).