N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide

C19H18BrN3O — CID 10200017

IUPACN-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)c1c(C(=O)N/N=C/c2ccc(Br)cc2)[nH]c2ccccc12
InChIInChI=1S/C19H18BrN3O/c1-12(2)17-15-5-3-4-6-16(15)22-18(17)19(24)23-21-11-13-7-9-14(20)10-8-13/h3-12,22H,1-2H3,(H,23,24)/b21-11+
InChIKeyKMZGPJKESFZNAP-SRZZPIQSSA-N
MW384.28 g/mol
LogP4.82
Rot. Bonds4

About N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide

N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 10200017) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide
PubChem CID10200017
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC NameN-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide
SMILESCC(C)c1c(C(=O)N/N=C/c2ccc(Br)cc2)[nH]c2ccccc12
InChIInChI=1S/C19H18BrN3O/c1-12(2)17-15-5-3-4-6-16(15)22-18(17)19(24)23-21-11-13-7-9-14(20)10-8-13/h3-12,22H,1-2H3,(H,23,24)/b21-11+
InChIKeyKMZGPJKESFZNAP-SRZZPIQSSA-N
XLogP4.82
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide
CID 70129332
N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10273493
N-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide
CID 70121828
N-[(4-cyanophenyl)methylideneamino]-3-propan-2-yloxy-1H-indole-2-carboxamide
CID 70131737
3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
CID 14983896
N-[(E)-benzylideneamino]-5-bromo-3-phenyl-1H-indole-2-carboxamide
CID 6878137
N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide
CID 14983889
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
CID 14983883
5-bromo-N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 135517136
N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70159294
4-[[2-[[(E)-(4-carboxyphenyl)methylideneamino]carbamoyl]-1H-indol-3-yl]iminomethyl]benzoic acid
CID 14983887
N-[(4-bromophenyl)methylideneamino]naphthalene-1-carboxamide
CID 1377406

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide (CID 10200017) is N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide is CC(C)c1c(C(=O)N/N=C/c2ccc(Br)cc2)[nH]c2ccccc12.
What is the InChIKey of N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide?
The InChIKey is KMZGPJKESFZNAP-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H18BrN3O/c1-12(2)17-15-5-3-4-6-16(15)22-18(17)19(24)23-21-11-13-7-9-14(20)10-8-13/h3-12,22H,1-2H3,(H,23,24)/b21-11+.
What are the key properties of N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide?
N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 384.28 g/mol, XLogP of 4.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 10200017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).