4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide

C18H14ClN3O — CID 136846390

IUPAC4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide
SMILESO=C(N/N=C\C=C\c1c[nH]c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O/c19-15-9-7-13(8-10-15)18(23)22-21-11-3-4-14-12-20-17-6-2-1-5-16(14)17/h1-12,20H,(H,22,23)/b4-3+,21-11-
InChIKeyFVJIEPMBULCUGE-IWBIUAMXSA-N
MW323.78 g/mol
LogP4.25
Rot. Bonds4

About 4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide

4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide (PubChem CID 136846390) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide
PubChem CID136846390
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide
SMILESO=C(N/N=C\C=C\c1c[nH]c2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O/c19-15-9-7-13(8-10-15)18(23)22-21-11-3-4-14-12-20-17-6-2-1-5-16(14)17/h1-12,20H,(H,22,23)/b4-3+,21-11-
InChIKeyFVJIEPMBULCUGE-IWBIUAMXSA-N
XLogP4.25
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-hydroxy-N-[3-(1H-indol-3-yl)prop-2-enylideneamino]benzamide
CID 4551378
3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 171135949
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
4-chloro-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]benzamide
CID 6899373
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide
CID 1493686
2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136663043
N-[(Z)-1H-indol-3-ylmethylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
CID 137189888
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide
CID 135818917

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide (CID 136846390) is 4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide is O=C(N/N=C\C=C\c1c[nH]c2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide?
The InChIKey is FVJIEPMBULCUGE-IWBIUAMXSA-N. The full InChI is InChI=1S/C18H14ClN3O/c19-15-9-7-13(8-10-15)18(23)22-21-11-3-4-14-12-20-17-6-2-1-5-16(14)17/h1-12,20H,(H,22,23)/b4-3+,21-11-.
What are the key properties of 4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide?
4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide has a molecular weight of 323.78 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-[(E)-3-(1H-indol-3-yl)prop-2-enylidene]amino]benzamide is sourced from PubChem (CID 136846390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).