[3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate

C19H18N2O4 — CID 108927861

IUPAC[3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C19H18N2O4/c1-12(22)25-17-7-2-4-14(10-17)19(24)21-16-6-3-5-15(11-16)20-18(23)13-8-9-13/h2-7,10-11,13H,8-9H2,1H3,(H,20,23)(H,21,24)
InChIKeyQOZIWNIFRGOGCN-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.21
Rot. Bonds5

About [3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate

[3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate (PubChem CID 108927861) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is [3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate
PubChem CID108927861
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name[3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C19H18N2O4/c1-12(22)25-17-7-2-4-14(10-17)19(24)21-16-6-3-5-15(11-16)20-18(23)13-8-9-13/h2-7,10-11,13H,8-9H2,1H3,(H,20,23)(H,21,24)
InChIKeyQOZIWNIFRGOGCN-UHFFFAOYSA-N
XLogP3.21
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[[3-[(3-hydroxybenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927899
3-(cyclopropanecarbonylamino)-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55879231
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
[3-[[3-[[2-(2-methoxyethoxy)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927894
N-[4-(cyclopropanecarbonylamino)phenyl]-3-phenoxybenzamide
CID 25276057
[3-[[3-[[2-(2-chlorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927910
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
[3-[[3-[[2-(4-methylphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927917
[3-[[3-[(5-bromofuran-2-carbonyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108927816
[3-[[3-[[4-(methanesulfonamido)benzoyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927824
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
[3-[[4-(propanoylamino)phenyl]carbamoyl]phenyl] acetate
CID 108927681

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate (CID 108927861) is [3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1.
What is the InChIKey of [3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate?
The InChIKey is QOZIWNIFRGOGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12(22)25-17-7-2-4-14(10-17)19(24)21-16-6-3-5-15(11-16)20-18(23)13-8-9-13/h2-7,10-11,13H,8-9H2,1H3,(H,20,23)(H,21,24).
What are the key properties of [3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate?
[3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate has a molecular weight of 338.36 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(cyclopropanecarbonylamino)phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 108927861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).