N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide

C24H21Cl2N3O6 — CID 126005822

IUPACN-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC
InChIInChI=1S/C24H21Cl2N3O6/c1-33-19-10-13(11-20(34-2)21(19)35-3)22(30)27-18-7-5-4-6-16(18)24(32)29-28-23(31)15-9-8-14(25)12-17(15)26/h4-12H,1-3H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyTUIYVFKIPMMFBY-UHFFFAOYSA-N
MW518.35 g/mol
LogP4.35
Rot. Bonds7

About N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide

N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 126005822) has the molecular formula C24H21Cl2N3O6 and a molecular weight of 518.35 g/mol. Its IUPAC name is N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID126005822
Molecular FormulaC24H21Cl2N3O6
Molecular Weight518.35 g/mol
Exact Mass517.08
IUPAC NameN-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC
InChIInChI=1S/C24H21Cl2N3O6/c1-33-19-10-13(11-20(34-2)21(19)35-3)22(30)27-18-7-5-4-6-16(18)24(32)29-28-23(31)15-9-8-14(25)12-17(15)26/h4-12H,1-3H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyTUIYVFKIPMMFBY-UHFFFAOYSA-N
XLogP4.35
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.35
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
4-bromo-N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126004546
N-[2-[(furan-2-carbonylamino)carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126008403
N'-(4-chloro-2-fluorobenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 9084627
N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4805458
N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide
CID 835945
3-chloro-4,5-dimethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905325
N-[2-(azepane-1-carbonyl)phenyl]-3,4,5-trimethoxybenzamide
CID 4937859
3,4,5-trimethoxy-N-[2-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]benzamide
CID 7258591
3,4,5-trimethoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 3163319
N'-(2-chlorobenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide
CID 35930751

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide (CID 126005822) is N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1OC.
What is the InChIKey of N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is TUIYVFKIPMMFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O6/c1-33-19-10-13(11-20(34-2)21(19)35-3)22(30)27-18-7-5-4-6-16(18)24(32)29-28-23(31)15-9-8-14(25)12-17(15)26/h4-12H,1-3H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide?
N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 518.35 g/mol, XLogP of 4.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 126005822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).