N-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide

C17H14BrN3O2 — CID 31861888

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide
SMILESNC(=O)Cc1ccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C17H14BrN3O2/c18-12-4-3-11-8-15(21-14(11)9-12)17(23)20-13-5-1-10(2-6-13)7-16(19)22/h1-6,8-9,21H,7H2,(H2,19,22)(H,20,23)
InChIKeyRNFDGJNNWNIZGU-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.21
Rot. Bonds4

About N-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide

N-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide (PubChem CID 31861888) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide
PubChem CID31861888
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide
SMILESNC(=O)Cc1ccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C17H14BrN3O2/c18-12-4-3-11-8-15(21-14(11)9-12)17(23)20-13-5-1-10(2-6-13)7-16(19)22/h1-6,8-9,21H,7H2,(H2,19,22)(H,20,23)
InChIKeyRNFDGJNNWNIZGU-UHFFFAOYSA-N
XLogP3.21
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloro-1H-indole-2-carboxamide
CID 31862421
6-bromo-N-(3-bromophenyl)-1H-indole-2-carboxamide
CID 175535404
N-(4-bromophenyl)-6-chloro-1H-indole-2-carboxamide
CID 113207573
6-methoxy-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]-1H-indole-2-carboxamide
CID 36545679
6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 175535401
6-bromo-N-(2-fluorophenyl)-1H-indole-2-carboxamide
CID 47155114
N-(4-ethylphenyl)-6-methoxy-1H-indole-2-carboxamide
CID 46555962
6-bromo-N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-1H-indole-2-carboxamide
CID 55969655
6-bromo-N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-1H-indole-2-carboxamide
CID 55983762
6-bromo-N-(3-hydroxypropyl)-1H-indole-2-carboxamide
CID 78854248
6-bromo-N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1H-indole-2-carboxamide
CID 87045715
N-[(4-acetamidophenyl)methyl]-5-bromo-1H-indole-2-carboxamide
CID 24678417

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide (CID 31861888) is N-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide is NC(=O)Cc1ccc(NC(=O)c2cc3ccc(Br)cc3[nH]2)cc1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide?
The InChIKey is RNFDGJNNWNIZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c18-12-4-3-11-8-15(21-14(11)9-12)17(23)20-13-5-1-10(2-6-13)7-16(19)22/h1-6,8-9,21H,7H2,(H2,19,22)(H,20,23).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide has a molecular weight of 372.22 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-6-bromo-1H-indole-2-carboxamide is sourced from PubChem (CID 31861888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).