N-bis(4-methylanilino)phosphoryl-1H-indole-3-carboxamide

C23H23N4O2P — CID 3390781

IUPACN-bis(4-methylanilino)phosphoryl-1H-indole-3-carboxamide
SMILESCc1ccc(NP(=O)(NC(=O)c2c[nH]c3ccccc23)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C23H23N4O2P/c1-16-7-11-18(12-8-16)25-30(29,26-19-13-9-17(2)10-14-19)27-23(28)21-15-24-22-6-4-3-5-20(21)22/h3-15,24H,1-2H3,(H3,25,26,27,28,29)
InChIKeyIGNPCRLJZCWXGB-UHFFFAOYSA-N
MW418.44 g/mol
LogP5.85
Rot. Bonds6

About N-bis(4-methylanilino)phosphoryl-1H-indole-3-carboxamide

N-bis(4-methylanilino)phosphoryl-1H-indole-3-carboxamide (PubChem CID 3390781) has the molecular formula C23H23N4O2P and a molecular weight of 418.44 g/mol. Its IUPAC name is N-bis(4-methylanilino)phosphoryl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-bis(4-methylanilino)phosphoryl-1H-indole-3-carboxamide
PubChem CID3390781
Molecular FormulaC23H23N4O2P
Molecular Weight418.44 g/mol
Exact Mass418.16
IUPAC NameN-bis(4-methylanilino)phosphoryl-1H-indole-3-carboxamide
SMILESCc1ccc(NP(=O)(NC(=O)c2c[nH]c3ccccc23)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C23H23N4O2P/c1-16-7-11-18(12-8-16)25-30(29,26-19-13-9-17(2)10-14-19)27-23(28)21-15-24-22-6-4-3-5-20(21)22/h3-15,24H,1-2H3,(H3,25,26,27,28,29)
InChIKeyIGNPCRLJZCWXGB-UHFFFAOYSA-N
XLogP5.85
TPSA86.02 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.44
LogP ≤ 55.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905
N-(3,5-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399253
N-(4-phenylphenyl)-1H-indole-3-carboxamide
CID 17447542
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
(E)-1-(1H-indol-3-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 15122795
N-(3-bromo-5-methylphenyl)-1H-indole-3-carboxamide
CID 84543848
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
1-(1H-indol-3-yl)-3-(4-methylphenyl)propane-1,2-dione
CID 160732644
N-(4-bromophenyl)-1H-indole-3-carboxamide
CID 43082523
N-(2-hydroxyphenyl)-1H-indole-3-carboxamide
CID 57210773
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
N-(2-methoxy-4-methylphenyl)-1H-indole-3-carboxamide
CID 60933429

Frequently Asked Questions

What is the IUPAC name of N-bis(4-methylanilino)phosphoryl-1H-indole-3-carboxamide?
The IUPAC name of N-bis(4-methylanilino)phosphoryl-1H-indole-3-carboxamide (CID 3390781) is N-bis(4-methylanilino)phosphoryl-1H-indole-3-carboxamide.
What is the SMILES notation for N-bis(4-methylanilino)phosphoryl-1H-indole-3-carboxamide?
The canonical SMILES for N-bis(4-methylanilino)phosphoryl-1H-indole-3-carboxamide is Cc1ccc(NP(=O)(NC(=O)c2c[nH]c3ccccc23)Nc2ccc(C)cc2)cc1.
What is the InChIKey of N-bis(4-methylanilino)phosphoryl-1H-indole-3-carboxamide?
The InChIKey is IGNPCRLJZCWXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N4O2P/c1-16-7-11-18(12-8-16)25-30(29,26-19-13-9-17(2)10-14-19)27-23(28)21-15-24-22-6-4-3-5-20(21)22/h3-15,24H,1-2H3,(H3,25,26,27,28,29).
What are the key properties of N-bis(4-methylanilino)phosphoryl-1H-indole-3-carboxamide?
N-bis(4-methylanilino)phosphoryl-1H-indole-3-carboxamide has a molecular weight of 418.44 g/mol, XLogP of 5.85, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(4-methylanilino)phosphoryl-1H-indole-3-carboxamide is sourced from PubChem (CID 3390781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).