N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-[4-[(4-chlorophenyl)carbamoylamino]phenoxy]acetamide

C23H17Cl2N5O4 — CID 172640301

IUPACN-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-[4-[(4-chlorophenyl)carbamoylamino]phenoxy]acetamide
SMILESO=C(COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)/N=N/c1c(O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C23H17Cl2N5O4/c24-13-1-4-15(5-2-13)26-23(33)27-16-6-8-17(9-7-16)34-12-20(31)29-30-21-18-11-14(25)3-10-19(18)28-22(21)32/h1-11,28,32H,12H2,(H2,26,27,33)/b30-29+
InChIKeyKDZMUGUNDZHHDP-QVIHXGFCSA-N
MW498.33 g/mol
LogP6.51
Rot. Bonds6

About N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-[4-[(4-chlorophenyl)carbamoylamino]phenoxy]acetamide

N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-[4-[(4-chlorophenyl)carbamoylamino]phenoxy]acetamide (PubChem CID 172640301) has the molecular formula C23H17Cl2N5O4 and a molecular weight of 498.33 g/mol. Its IUPAC name is N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-[4-[(4-chlorophenyl)carbamoylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-[4-[(4-chlorophenyl)carbamoylamino]phenoxy]acetamide
PubChem CID172640301
Molecular FormulaC23H17Cl2N5O4
Molecular Weight498.33 g/mol
Exact Mass497.07
IUPAC NameN-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-[4-[(4-chlorophenyl)carbamoylamino]phenoxy]acetamide
SMILESO=C(COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)/N=N/c1c(O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C23H17Cl2N5O4/c24-13-1-4-15(5-2-13)26-23(33)27-16-6-8-17(9-7-16)34-12-20(31)29-30-21-18-11-14(25)3-10-19(18)28-22(21)32/h1-11,28,32H,12H2,(H2,26,27,33)/b30-29+
InChIKeyKDZMUGUNDZHHDP-QVIHXGFCSA-N
XLogP6.51
TPSA128.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.33
LogP ≤ 56.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3,4-dichlorophenyl)carbamoylamino]phenoxy]-N-[(2-hydroxy-5-nitro-1H-indol-3-yl)imino]acetamide
CID 172638845
4-[2-[(2-hydroxy-5-iodo-1H-indol-3-yl)diazenyl]-2-oxoethoxy]benzoic acid
CID 135530541
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide;N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-hydrazinyl-4-oxobutanamide
CID 135810853
2-(4-ethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 686521
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 156757094
4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-[(2-hydroxy-5-methoxy-1H-indol-3-yl)imino]benzamide
CID 155523855
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-chlorophenyl)sulfanylacetamide
CID 137118543
2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 166593558
4-[(4-chlorobenzoyl)amino]-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 4182686
2-(3-bromophenoxy)-N-[(2-hydroxy-5-propan-2-yl-1H-indol-3-yl)imino]acetamide
CID 135775220
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 5090132
N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 135582389

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-[4-[(4-chlorophenyl)carbamoylamino]phenoxy]acetamide?
The IUPAC name of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-[4-[(4-chlorophenyl)carbamoylamino]phenoxy]acetamide (CID 172640301) is N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-[4-[(4-chlorophenyl)carbamoylamino]phenoxy]acetamide.
What is the SMILES notation for N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-[4-[(4-chlorophenyl)carbamoylamino]phenoxy]acetamide?
The canonical SMILES for N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-[4-[(4-chlorophenyl)carbamoylamino]phenoxy]acetamide is O=C(COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1)/N=N/c1c(O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-[4-[(4-chlorophenyl)carbamoylamino]phenoxy]acetamide?
The InChIKey is KDZMUGUNDZHHDP-QVIHXGFCSA-N. The full InChI is InChI=1S/C23H17Cl2N5O4/c24-13-1-4-15(5-2-13)26-23(33)27-16-6-8-17(9-7-16)34-12-20(31)29-30-21-18-11-14(25)3-10-19(18)28-22(21)32/h1-11,28,32H,12H2,(H2,26,27,33)/b30-29+.
What are the key properties of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-[4-[(4-chlorophenyl)carbamoylamino]phenoxy]acetamide?
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-[4-[(4-chlorophenyl)carbamoylamino]phenoxy]acetamide has a molecular weight of 498.33 g/mol, XLogP of 6.51, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-[4-[(4-chlorophenyl)carbamoylamino]phenoxy]acetamide is sourced from PubChem (CID 172640301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).