N-[7-[4-[(3-methylphenyl)carbamoylamino]phenyl]-3-oxo-1,2-dihydroisoindol-4-yl]acetamide

C24H22N4O3 — CID 5329910

IUPACN-[7-[4-[(3-methylphenyl)carbamoylamino]phenyl]-3-oxo-1,2-dihydroisoindol-4-yl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c1C(=O)NC2
InChIInChI=1S/C24H22N4O3/c1-14-4-3-5-18(12-14)28-24(31)27-17-8-6-16(7-9-17)19-10-11-21(26-15(2)29)22-20(19)13-25-23(22)30/h3-12H,13H2,1-2H3,(H,25,30)(H,26,29)(H2,27,28,31)
InChIKeyKGHWFSYOYLGMQN-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.51
Rot. Bonds4

About N-[7-[4-[(3-methylphenyl)carbamoylamino]phenyl]-3-oxo-1,2-dihydroisoindol-4-yl]acetamide

N-[7-[4-[(3-methylphenyl)carbamoylamino]phenyl]-3-oxo-1,2-dihydroisoindol-4-yl]acetamide (PubChem CID 5329910) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[7-[4-[(3-methylphenyl)carbamoylamino]phenyl]-3-oxo-1,2-dihydroisoindol-4-yl]acetamide.

Molecular Properties

Compound NameN-[7-[4-[(3-methylphenyl)carbamoylamino]phenyl]-3-oxo-1,2-dihydroisoindol-4-yl]acetamide
PubChem CID5329910
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC NameN-[7-[4-[(3-methylphenyl)carbamoylamino]phenyl]-3-oxo-1,2-dihydroisoindol-4-yl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c1C(=O)NC2
InChIInChI=1S/C24H22N4O3/c1-14-4-3-5-18(12-14)28-24(31)27-17-8-6-16(7-9-17)19-10-11-21(26-15(2)29)22-20(19)13-25-23(22)30/h3-12H,13H2,1-2H3,(H,25,30)(H,26,29)(H2,27,28,31)
InChIKeyKGHWFSYOYLGMQN-UHFFFAOYSA-N
XLogP4.51
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Dimethylaminonaphthalen-1-ylmethylene)-1,3-dihydroindol-2-one
CID 24906291
3-(4-Dimethylamino-naphthalen-1-ylmethylene)-1,3-dihydro-indol-2-one
CID 9839842
1-{[(4-tert-butylphenyl)amino]methyl}-2,3-dihydro-1H-indole-2,3-dione
CID 2731902
1-(3-methylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329880
1-(4-methylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329887
3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]urea
CID 5329888
3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]urea
CID 5329889
1-(3-chlorophenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329890
1-(3-ethylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329891
1-(3-fluorophenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329892
1-(3-cyanophenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329894
1-(3,4-dimethylphenyl)-3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]urea
CID 5329895

Frequently Asked Questions

What is the IUPAC name of N-[7-[4-[(3-methylphenyl)carbamoylamino]phenyl]-3-oxo-1,2-dihydroisoindol-4-yl]acetamide?
The IUPAC name of N-[7-[4-[(3-methylphenyl)carbamoylamino]phenyl]-3-oxo-1,2-dihydroisoindol-4-yl]acetamide (CID 5329910) is N-[7-[4-[(3-methylphenyl)carbamoylamino]phenyl]-3-oxo-1,2-dihydroisoindol-4-yl]acetamide.
What is the SMILES notation for N-[7-[4-[(3-methylphenyl)carbamoylamino]phenyl]-3-oxo-1,2-dihydroisoindol-4-yl]acetamide?
The canonical SMILES for N-[7-[4-[(3-methylphenyl)carbamoylamino]phenyl]-3-oxo-1,2-dihydroisoindol-4-yl]acetamide is CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3cccc(C)c3)cc2)c2c1C(=O)NC2.
What is the InChIKey of N-[7-[4-[(3-methylphenyl)carbamoylamino]phenyl]-3-oxo-1,2-dihydroisoindol-4-yl]acetamide?
The InChIKey is KGHWFSYOYLGMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-14-4-3-5-18(12-14)28-24(31)27-17-8-6-16(7-9-17)19-10-11-21(26-15(2)29)22-20(19)13-25-23(22)30/h3-12H,13H2,1-2H3,(H,25,30)(H,26,29)(H2,27,28,31).
What are the key properties of N-[7-[4-[(3-methylphenyl)carbamoylamino]phenyl]-3-oxo-1,2-dihydroisoindol-4-yl]acetamide?
N-[7-[4-[(3-methylphenyl)carbamoylamino]phenyl]-3-oxo-1,2-dihydroisoindol-4-yl]acetamide has a molecular weight of 414.47 g/mol, XLogP of 4.51, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-[(3-methylphenyl)carbamoylamino]phenyl]-3-oxo-1,2-dihydroisoindol-4-yl]acetamide is sourced from PubChem (CID 5329910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).