[4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]amino]carbamoyl]-2-methoxyphenyl] acetate

C24H20ClN3O6 — CID 126230266

IUPAC[4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]amino]carbamoyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(C)=O
InChIInChI=1S/C24H20ClN3O6/c1-14(29)34-20-11-8-17(13-21(20)33-2)24(32)28-27-23(31)16-4-3-5-19(12-16)26-22(30)15-6-9-18(25)10-7-15/h3-13H,1-2H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyKDPGBAAARGSBJG-UHFFFAOYSA-N
MW481.89 g/mol
LogP3.60
Rot. Bonds6

About [4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]amino]carbamoyl]-2-methoxyphenyl] acetate

[4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]amino]carbamoyl]-2-methoxyphenyl] acetate (PubChem CID 126230266) has the molecular formula C24H20ClN3O6 and a molecular weight of 481.89 g/mol. Its IUPAC name is [4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]amino]carbamoyl]-2-methoxyphenyl] acetate.

Molecular Properties

Compound Name[4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]amino]carbamoyl]-2-methoxyphenyl] acetate
PubChem CID126230266
Molecular FormulaC24H20ClN3O6
Molecular Weight481.89 g/mol
Exact Mass481.10
IUPAC Name[4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]amino]carbamoyl]-2-methoxyphenyl] acetate
SMILESCOc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(C)=O
InChIInChI=1S/C24H20ClN3O6/c1-14(29)34-20-11-8-17(13-21(20)33-2)24(32)28-27-23(31)16-4-3-5-19(12-16)26-22(30)15-6-9-18(25)10-7-15/h3-13H,1-2H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyKDPGBAAARGSBJG-UHFFFAOYSA-N
XLogP3.60
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.89
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-methoxy-4-[[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]carbamoyl]phenyl] acetate
CID 126229853
4-chloro-N-[3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126231777
[2-methoxy-4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 17362444
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
[4-[(3,5-dichloro-4-hydroxyphenyl)carbamoyl]-2-methoxyphenyl] acetate
CID 2993167
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 4614010
[4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3,4,5-trimethoxybenzoate
CID 126230314
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 126224742
N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-4-nitrobenzamide
CID 126229161
ethyl N-[3-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]carbamate
CID 9206955
3-acetamido-N-(3-acetylphenyl)-4-methoxybenzamide
CID 110764313
N-[3-[[(3-methoxy-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2,2-dimethylpropanamide
CID 30544601

Frequently Asked Questions

What is the IUPAC name of [4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]amino]carbamoyl]-2-methoxyphenyl] acetate?
The IUPAC name of [4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]amino]carbamoyl]-2-methoxyphenyl] acetate (CID 126230266) is [4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]amino]carbamoyl]-2-methoxyphenyl] acetate.
What is the SMILES notation for [4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]amino]carbamoyl]-2-methoxyphenyl] acetate?
The canonical SMILES for [4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]amino]carbamoyl]-2-methoxyphenyl] acetate is COc1cc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)ccc1OC(C)=O.
What is the InChIKey of [4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]amino]carbamoyl]-2-methoxyphenyl] acetate?
The InChIKey is KDPGBAAARGSBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O6/c1-14(29)34-20-11-8-17(13-21(20)33-2)24(32)28-27-23(31)16-4-3-5-19(12-16)26-22(30)15-6-9-18(25)10-7-15/h3-13H,1-2H3,(H,26,30)(H,27,31)(H,28,32).
What are the key properties of [4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]amino]carbamoyl]-2-methoxyphenyl] acetate?
[4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]amino]carbamoyl]-2-methoxyphenyl] acetate has a molecular weight of 481.89 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[3-[(4-chlorobenzoyl)amino]benzoyl]amino]carbamoyl]-2-methoxyphenyl] acetate is sourced from PubChem (CID 126230266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).