N-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide

C24H20N4O2 — CID 135957370

IUPACN-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(C(=O)N/N=C/c3c[nH]c4ccccc34)c2)c1
InChIInChI=1S/C24H20N4O2/c1-16-6-4-7-17(12-16)23(29)27-20-9-5-8-18(13-20)24(30)28-26-15-19-14-25-22-11-3-2-10-21(19)22/h2-15,25H,1H3,(H,27,29)(H,28,30)/b26-15+
InChIKeyIBCDZLYWGMJLGZ-CVKSISIWSA-N
MW396.45 g/mol
LogP4.49
Rot. Bonds5

About N-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide

N-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide (PubChem CID 135957370) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide
PubChem CID135957370
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cccc(C(=O)N/N=C/c3c[nH]c4ccccc34)c2)c1
InChIInChI=1S/C24H20N4O2/c1-16-6-4-7-17(12-16)23(29)27-20-9-5-8-18(13-20)24(30)28-26-15-19-14-25-22-11-3-2-10-21(19)22/h2-15,25H,1H3,(H,27,29)(H,28,30)/b26-15+
InChIKeyIBCDZLYWGMJLGZ-CVKSISIWSA-N
XLogP4.49
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
3-[(3-bromobenzoyl)amino]-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136897265
3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 171135949
N-[(E)-1H-indol-3-ylmethylideneamino]-3-(pentanoylamino)benzamide
CID 135569761
N-[2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 135795104
N-[2-[(2Z)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 137054711
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
3-[(1H-indol-3-ylmethylideneamino)carbamothioylamino]benzoic acid
CID 3250779
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
N-(1H-indol-3-ylmethylideneamino)-3,5-dimethoxybenzamide
CID 966844

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide?
The IUPAC name of N-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide (CID 135957370) is N-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2cccc(C(=O)N/N=C/c3c[nH]c4ccccc34)c2)c1.
What is the InChIKey of N-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide?
The InChIKey is IBCDZLYWGMJLGZ-CVKSISIWSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-16-6-4-7-17(12-16)23(29)27-20-9-5-8-18(13-20)24(30)28-26-15-19-14-25-22-11-3-2-10-21(19)22/h2-15,25H,1H3,(H,27,29)(H,28,30)/b26-15+.
What are the key properties of N-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide?
N-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide has a molecular weight of 396.45 g/mol, XLogP of 4.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(E)-1H-indol-3-ylmethylideneamino]carbamoyl]phenyl]-3-methylbenzamide is sourced from PubChem (CID 135957370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).