N-(2-aminoethyl)-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide

C25H23ClN4O2 — CID 91315699

IUPACN-(2-aminoethyl)-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide
SMILESCC(=O)N(CCN)c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C25H23ClN4O2/c1-16(31)30(14-13-27)20-10-8-19(9-11-20)28-24(17-5-3-2-4-6-17)23-21-12-7-18(26)15-22(21)29-25(23)32/h2-12,15,23H,13-14,27H2,1H3,(H,29,32)/b28-24+
InChIKeyDHHWPHCHHJVZFP-ZZIIXHQDSA-N
MW446.94 g/mol
LogP4.51
Rot. Bonds6

About N-(2-aminoethyl)-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide

N-(2-aminoethyl)-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide (PubChem CID 91315699) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide
PubChem CID91315699
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC NameN-(2-aminoethyl)-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide
SMILESCC(=O)N(CCN)c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C25H23ClN4O2/c1-16(31)30(14-13-27)20-10-8-19(9-11-20)28-24(17-5-3-2-4-6-17)23-21-12-7-18(26)15-22(21)29-25(23)32/h2-12,15,23H,13-14,27H2,1H3,(H,29,32)/b28-24+
InChIKeyDHHWPHCHHJVZFP-ZZIIXHQDSA-N
XLogP4.51
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-3-[N-(4-chlorophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 90849989
N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-(3,4-diaminophenyl)methylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide
CID 90868806
3-bromo-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 91482701
N-[[3-[N-[4-[acetyl-[3-(dimethylamino)propyl]amino]phenyl]-C-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)carbonimidoyl]phenyl]methyl]acetamide
CID 91011066
3-[4-[N-[4-[acetyl-[3-(methylamino)propyl]amino]phenyl]-C-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)carbonimidoyl]phenyl]propanoic acid
CID 91214429
N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-(3,4-dimethoxyphenyl)methylidene]amino]phenyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 90944252
N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-quinoxalin-6-ylmethylidene]amino]phenyl]-N-[3-(dimethylamino)propyl]acetamide
CID 90707297
2-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N,N-dimethylacetamide
CID 91148036
6-chloro-3-[N-(4-iodophenyl)-C-phenylcarbonimidoyl]-1,3-dihydroindol-2-one
CID 91458345
2-[4-(2-aminoethyl)piperazin-1-yl]-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]-N-methylacetamide
CID 91187464
N-[4-[[(4-amino-3-nitrophenyl)-(6-chloro-2-oxo-1,3-dihydroindol-3-yl)methylidene]amino]phenyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 91575576
N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-(2-oxo-3H-1,3-benzoxazol-6-yl)methylidene]amino]phenyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 91122982

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide (CID 91315699) is N-(2-aminoethyl)-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide is CC(=O)N(CCN)c1ccc(/N=C(\c2ccccc2)C2C(=O)Nc3cc(Cl)ccc32)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide?
The InChIKey is DHHWPHCHHJVZFP-ZZIIXHQDSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-16(31)30(14-13-27)20-10-8-19(9-11-20)28-24(17-5-3-2-4-6-17)23-21-12-7-18(26)15-22(21)29-25(23)32/h2-12,15,23H,13-14,27H2,1H3,(H,29,32)/b28-24+.
What are the key properties of N-(2-aminoethyl)-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide?
N-(2-aminoethyl)-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide has a molecular weight of 446.94 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[4-[[(6-chloro-2-oxo-1,3-dihydroindol-3-yl)-phenylmethylidene]amino]phenyl]acetamide is sourced from PubChem (CID 91315699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).