4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide

C24H22ClN3O6 — CID 126231777

IUPAC4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc(OC)c1OC
InChIInChI=1S/C24H22ClN3O6/c1-32-19-12-16(13-20(33-2)21(19)34-3)24(31)28-27-23(30)15-5-4-6-18(11-15)26-22(29)14-7-9-17(25)10-8-14/h4-13H,1-3H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyRFEABLBOQRPGAF-UHFFFAOYSA-N
MW483.91 g/mol
LogP3.69
Rot. Bonds7

About 4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide

4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide (PubChem CID 126231777) has the molecular formula C24H22ClN3O6 and a molecular weight of 483.91 g/mol. Its IUPAC name is 4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
PubChem CID126231777
Molecular FormulaC24H22ClN3O6
Molecular Weight483.91 g/mol
Exact Mass483.12
IUPAC Name4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc(OC)c1OC
InChIInChI=1S/C24H22ClN3O6/c1-32-19-12-16(13-20(33-2)21(19)34-3)24(31)28-27-23(30)15-5-4-6-18(11-15)26-22(29)14-7-9-17(25)10-8-14/h4-13H,1-3H3,(H,26,29)(H,27,30)(H,28,31)
InChIKeyRFEABLBOQRPGAF-UHFFFAOYSA-N
XLogP3.69
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.91
LogP ≤ 53.69
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

3,4,5-trimethoxy-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231092
3-methyl-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126229364
[4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]amino]carbamoyl]-2-methoxyphenyl] acetate
CID 126230266
[2-methoxy-4-[[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]carbamoyl]phenyl] acetate
CID 126229853
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3,4,5-trimethoxybenzamide
CID 5167403
3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide
CID 43056910
[4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4,5-trimethoxybenzoate
CID 126230314
3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17470046
N-[3-[[(2R)-butan-2-yl]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 42427639

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide (CID 126231777) is 4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide is COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc(OC)c1OC.
What is the InChIKey of 4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
The InChIKey is RFEABLBOQRPGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O6/c1-32-19-12-16(13-20(33-2)21(19)34-3)24(31)28-27-23(30)15-5-4-6-18(11-15)26-22(29)14-7-9-17(25)10-8-14/h4-13H,1-3H3,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of 4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide?
4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide has a molecular weight of 483.91 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 126231777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).