2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate

C17H14BrN2O4- — CID 9016439

IUPAC2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
SMILESC/C(=N/NC(=O)c1ccccc1Br)c1cccc(OCC(=O)[O-])c1
InChIInChI=1S/C17H15BrN2O4/c1-11(12-5-4-6-13(9-12)24-10-16(21)22)19-20-17(23)14-7-2-3-8-15(14)18/h2-9H,10H2,1H3,(H,20,23)(H,21,22)/p-1/b19-11-
InChIKeyDLTOXQNBXDQGOO-ODLFYWEKSA-M
MW390.21 g/mol
LogP1.73
Rot. Bonds6

About 2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate

2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate (PubChem CID 9016439) has the molecular formula C17H14BrN2O4- and a molecular weight of 390.21 g/mol. Its IUPAC name is 2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
PubChem CID9016439
Molecular FormulaC17H14BrN2O4-
Molecular Weight390.21 g/mol
Exact Mass389.01
IUPAC Name2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
SMILESC/C(=N/NC(=O)c1ccccc1Br)c1cccc(OCC(=O)[O-])c1
InChIInChI=1S/C17H15BrN2O4/c1-11(12-5-4-6-13(9-12)24-10-16(21)22)19-20-17(23)14-7-2-3-8-15(14)18/h2-9H,10H2,1H3,(H,20,23)(H,21,22)/p-1/b19-11-
InChIKeyDLTOXQNBXDQGOO-ODLFYWEKSA-M
XLogP1.73
TPSA90.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate
CID 9058737
2-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 6084875
2-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]benzamide
CID 5050427
2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9016446
2-bromo-N-[1-(3,5-dibromo-2-hydroxyphenyl)ethylideneamino]benzamide
CID 137157108
2-[3-[(Z)-C-methyl-N-[[4-(phenoxymethyl)benzoyl]amino]carbonimidoyl]phenoxy]acetic acid
CID 8518059
2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate
CID 9074352
2-bromo-N-[(Z)-1-(4-methyl-3-nitrophenyl)ethylideneamino]benzamide
CID 6145272
2-[3-[(Z)-C-methyl-N-[(3,4,5-trimethoxybenzoyl)amino]carbonimidoyl]phenoxy]acetic acid
CID 9231733
2-bromo-N'-(3-propoxybenzoyl)benzohydrazide
CID 4960218
2-(4-bromophenoxy)-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]acetamide
CID 9359044
2-[3-[(Z)-C-methyl-N-[(4-propan-2-yloxybenzoyl)amino]carbonimidoyl]phenoxy]acetic acid
CID 9215286

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate?
The IUPAC name of 2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate (CID 9016439) is 2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate.
What is the SMILES notation for 2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate?
The canonical SMILES for 2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate is C/C(=N/NC(=O)c1ccccc1Br)c1cccc(OCC(=O)[O-])c1.
What is the InChIKey of 2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate?
The InChIKey is DLTOXQNBXDQGOO-ODLFYWEKSA-M. The full InChI is InChI=1S/C17H15BrN2O4/c1-11(12-5-4-6-13(9-12)24-10-16(21)22)19-20-17(23)14-7-2-3-8-15(14)18/h2-9H,10H2,1H3,(H,20,23)(H,21,22)/p-1/b19-11-.
What are the key properties of 2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate?
2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate has a molecular weight of 390.21 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate is sourced from PubChem (CID 9016439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).