N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide

C18H16BrN3O2 — CID 41145274

IUPACN-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N/N=C(/C)c3ccc(Br)cc3)cc2c1
InChIInChI=1S/C18H16BrN3O2/c1-11(12-3-5-14(19)6-4-12)21-22-18(23)17-10-13-9-15(24-2)7-8-16(13)20-17/h3-10,20H,1-2H3,(H,22,23)/b21-11-
InChIKeyFTCNPTFSQYTDNK-NHDPSOOVSA-N
MW386.25 g/mol
LogP4.09
Rot. Bonds4

About N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide

N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 41145274) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide
PubChem CID41145274
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide
SMILESCOc1ccc2[nH]c(C(=O)N/N=C(/C)c3ccc(Br)cc3)cc2c1
InChIInChI=1S/C18H16BrN3O2/c1-11(12-3-5-14(19)6-4-12)21-22-18(23)17-10-13-9-15(24-2)7-8-16(13)20-17/h3-10,20H,1-2H3,(H,22,23)/b21-11-
InChIKeyFTCNPTFSQYTDNK-NHDPSOOVSA-N
XLogP4.09
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.09
H-Bond Donors ≤ 52
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

4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
5-methoxy-N-propan-2-yl-1H-indole-2-carboxamide
CID 110847836
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 3466806
2,4-dimethoxy-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 873053
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
3-(4-fluorophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 6382712
N'-[1-(4-bromophenyl)ethylideneamino]-N-(2,5-dimethoxyphenyl)oxamide
CID 5048777
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
(2S)-2-[(5-methoxy-1H-indole-2-carbonyl)amino]propanoic acid
CID 110834885
(3,5-dimethoxyphenyl)-(5-methoxy-1H-indol-2-yl)methanone
CID 10403180
N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
CID 156600169
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide (CID 41145274) is N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)N/N=C(/C)c3ccc(Br)cc3)cc2c1.
What is the InChIKey of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide?
The InChIKey is FTCNPTFSQYTDNK-NHDPSOOVSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-11(12-3-5-14(19)6-4-12)21-22-18(23)17-10-13-9-15(24-2)7-8-16(13)20-17/h3-10,20H,1-2H3,(H,22,23)/b21-11-.
What are the key properties of N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide?
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-bromophenyl)ethylideneamino]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 41145274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).