[3-[[3-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate

C24H21ClN2O5 — CID 108929034

IUPAC[3-[[3-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cccc(CNC(=O)c2cccc(OC(C)=O)c2)c1
InChIInChI=1S/C24H21ClN2O5/c1-15(28)32-20-8-4-6-17(12-20)23(29)26-14-16-5-3-7-19(11-16)27-24(30)21-13-18(25)9-10-22(21)31-2/h3-13H,14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyBGFFNIXZHIEOJF-UHFFFAOYSA-N
MW452.89 g/mol
LogP4.46
Rot. Bonds7

About [3-[[3-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate

[3-[[3-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate (PubChem CID 108929034) has the molecular formula C24H21ClN2O5 and a molecular weight of 452.89 g/mol. Its IUPAC name is [3-[[3-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[3-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
PubChem CID108929034
Molecular FormulaC24H21ClN2O5
Molecular Weight452.89 g/mol
Exact Mass452.11
IUPAC Name[3-[[3-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cccc(CNC(=O)c2cccc(OC(C)=O)c2)c1
InChIInChI=1S/C24H21ClN2O5/c1-15(28)32-20-8-4-6-17(12-20)23(29)26-14-16-5-3-7-19(11-16)27-24(30)21-13-18(25)9-10-22(21)31-2/h3-13H,14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyBGFFNIXZHIEOJF-UHFFFAOYSA-N
XLogP4.46
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.89
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[[3-[[(4-chlorobenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108928977
5-chloro-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]-2-methoxybenzamide
CID 55894052
[3-[[3-[[2-(2-methoxyphenyl)acetyl]amino]phenyl]methylcarbamoyl]phenyl] acetate
CID 108929200
[3-[[3-(2-methylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
CID 108929186
[3-[[3-[[(3-methylbenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929113
[3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929211
[4-[[3-[[(5-chloro-2-methoxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931962
N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide
CID 63254170
1-N,3-N-bis[(3-chlorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71608078
[3-[[3-(3-phenylpropanoylamino)phenyl]methylcarbamoyl]phenyl] acetate
CID 108929114
5-chloro-N-[[3-(chloromethyl)phenyl]methyl]-2-methoxybenzamide
CID 114302427
5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 63311043

Frequently Asked Questions

What is the IUPAC name of [3-[[3-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate?
The IUPAC name of [3-[[3-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate (CID 108929034) is [3-[[3-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[3-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[3-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate is COc1ccc(Cl)cc1C(=O)Nc1cccc(CNC(=O)c2cccc(OC(C)=O)c2)c1.
What is the InChIKey of [3-[[3-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate?
The InChIKey is BGFFNIXZHIEOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O5/c1-15(28)32-20-8-4-6-17(12-20)23(29)26-14-16-5-3-7-19(11-16)27-24(30)21-13-18(25)9-10-22(21)31-2/h3-13H,14H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of [3-[[3-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate?
[3-[[3-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate has a molecular weight of 452.89 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-[(5-chloro-2-methoxybenzoyl)amino]phenyl]methylcarbamoyl]phenyl] acetate is sourced from PubChem (CID 108929034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).