3-bromo-N-[4-(cyclopropylcarbamoylamino)phenyl]-1-methylindole-2-carboxamide

C20H19BrN4O2 — CID 55824808

IUPAC3-bromo-N-[4-(cyclopropylcarbamoylamino)phenyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c(Br)c2ccccc21
InChIInChI=1S/C20H19BrN4O2/c1-25-16-5-3-2-4-15(16)17(21)18(25)19(26)22-12-6-8-13(9-7-12)23-20(27)24-14-10-11-14/h2-9,14H,10-11H2,1H3,(H,22,26)(H2,23,24,27)
InChIKeyQMWFAZWHASSJIP-UHFFFAOYSA-N
MW427.30 g/mol
LogP4.48
Rot. Bonds4

About 3-bromo-N-[4-(cyclopropylcarbamoylamino)phenyl]-1-methylindole-2-carboxamide

3-bromo-N-[4-(cyclopropylcarbamoylamino)phenyl]-1-methylindole-2-carboxamide (PubChem CID 55824808) has the molecular formula C20H19BrN4O2 and a molecular weight of 427.30 g/mol. Its IUPAC name is 3-bromo-N-[4-(cyclopropylcarbamoylamino)phenyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-[4-(cyclopropylcarbamoylamino)phenyl]-1-methylindole-2-carboxamide
PubChem CID55824808
Molecular FormulaC20H19BrN4O2
Molecular Weight427.30 g/mol
Exact Mass426.07
IUPAC Name3-bromo-N-[4-(cyclopropylcarbamoylamino)phenyl]-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c(Br)c2ccccc21
InChIInChI=1S/C20H19BrN4O2/c1-25-16-5-3-2-4-15(16)17(21)18(25)19(26)22-12-6-8-13(9-7-12)23-20(27)24-14-10-11-14/h2-9,14H,10-11H2,1H3,(H,22,26)(H2,23,24,27)
InChIKeyQMWFAZWHASSJIP-UHFFFAOYSA-N
XLogP4.48
TPSA75.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.30
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-hydroxyphenyl)-1-methylindole-2-carboxamide
CID 46435355
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CID 46435446
3-bromo-N-[(2S,3R)-2-cyclopropyloxolan-3-yl]-1-methylindole-2-carboxamide
CID 97247400
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
3-bromo-1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-2-carboxamide
CID 46435453
3-bromo-1-methylindole-2-carboxylic acid
CID 15290332
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-bromo-1-methylindole-2-carboxamide
CID 55970996
3-bromo-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylindole-2-carboxamide
CID 71934822
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
N-(4-ethylphenyl)-1,3-dimethylindole-2-carboxamide
CID 113204429
3-bromo-1-methyl-N-(2-pyrazol-1-ylphenyl)indole-2-carboxamide
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1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(cyclopropylcarbamoylamino)phenyl]-1-methylindole-2-carboxamide?
The IUPAC name of 3-bromo-N-[4-(cyclopropylcarbamoylamino)phenyl]-1-methylindole-2-carboxamide (CID 55824808) is 3-bromo-N-[4-(cyclopropylcarbamoylamino)phenyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for 3-bromo-N-[4-(cyclopropylcarbamoylamino)phenyl]-1-methylindole-2-carboxamide?
The canonical SMILES for 3-bromo-N-[4-(cyclopropylcarbamoylamino)phenyl]-1-methylindole-2-carboxamide is Cn1c(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)c(Br)c2ccccc21.
What is the InChIKey of 3-bromo-N-[4-(cyclopropylcarbamoylamino)phenyl]-1-methylindole-2-carboxamide?
The InChIKey is QMWFAZWHASSJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O2/c1-25-16-5-3-2-4-15(16)17(21)18(25)19(26)22-12-6-8-13(9-7-12)23-20(27)24-14-10-11-14/h2-9,14H,10-11H2,1H3,(H,22,26)(H2,23,24,27).
What are the key properties of 3-bromo-N-[4-(cyclopropylcarbamoylamino)phenyl]-1-methylindole-2-carboxamide?
3-bromo-N-[4-(cyclopropylcarbamoylamino)phenyl]-1-methylindole-2-carboxamide has a molecular weight of 427.30 g/mol, XLogP of 4.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(cyclopropylcarbamoylamino)phenyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 55824808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).