2-[(3-bromophenyl)carbamoylamino]-3-(1H-indol-2-yl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide

C28H26BrN5O4 — CID 174777608

IUPAC2-[(3-bromophenyl)carbamoylamino]-3-(1H-indol-2-yl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
SMILESO=C(Nc1cccc(Br)c1)NC(Cc1cc2ccccc2[nH]1)C(=O)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C28H26BrN5O4/c29-19-5-3-6-21(15-19)32-28(37)33-25(16-22-14-18-4-1-2-7-24(18)30-22)27(36)31-20-8-10-23(11-9-20)34-12-13-38-17-26(34)35/h1-11,14-15,25,30H,12-13,16-17H2,(H,31,36)(H2,32,33,37)
InChIKeyJDFZDAOYXDBGHF-UHFFFAOYSA-N
MW576.45 g/mol
LogP4.67
Rot. Bonds7

About 2-[(3-bromophenyl)carbamoylamino]-3-(1H-indol-2-yl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide

2-[(3-bromophenyl)carbamoylamino]-3-(1H-indol-2-yl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide (PubChem CID 174777608) has the molecular formula C28H26BrN5O4 and a molecular weight of 576.45 g/mol. Its IUPAC name is 2-[(3-bromophenyl)carbamoylamino]-3-(1H-indol-2-yl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)carbamoylamino]-3-(1H-indol-2-yl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
PubChem CID174777608
Molecular FormulaC28H26BrN5O4
Molecular Weight576.45 g/mol
Exact Mass575.12
IUPAC Name2-[(3-bromophenyl)carbamoylamino]-3-(1H-indol-2-yl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
SMILESO=C(Nc1cccc(Br)c1)NC(Cc1cc2ccccc2[nH]1)C(=O)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C28H26BrN5O4/c29-19-5-3-6-21(15-19)32-28(37)33-25(16-22-14-18-4-1-2-7-24(18)30-22)27(36)31-20-8-10-23(11-9-20)34-12-13-38-17-26(34)35/h1-11,14-15,25,30H,12-13,16-17H2,(H,31,36)(H2,32,33,37)
InChIKeyJDFZDAOYXDBGHF-UHFFFAOYSA-N
XLogP4.67
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.45
LogP ≤ 54.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[(3-bromophenyl)carbamoylamino]-3-(1H-indol-2-yl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide with MolForge

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Related Compounds

2-[(4-bromophenyl)carbamoylamino]-3-(4-hydroxyphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 174777612
1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110363575
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-3-(3-tritylimidazol-4-yl)propanamide
CID 174777568
2-amino-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
CID 69444352
5-bromo-N-[4-methyl-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]pentan-2-yl]thiophene-2-carboxamide
CID 68882975
4-(amino-methyl-oxo-λ6-sulfanylidene)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]butanamide
CID 90846289
2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide
CID 69060079
1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110617707
5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 174777567
(2R)-2-[2,2-difluoroethyl(methyl)amino]-N'-[4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87869078
(2R)-2-[(5-chlorothiophen-2-yl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
CID 10096868
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)carbamoylamino]-3-(1H-indol-2-yl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide?
The IUPAC name of 2-[(3-bromophenyl)carbamoylamino]-3-(1H-indol-2-yl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide (CID 174777608) is 2-[(3-bromophenyl)carbamoylamino]-3-(1H-indol-2-yl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide.
What is the SMILES notation for 2-[(3-bromophenyl)carbamoylamino]-3-(1H-indol-2-yl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide?
The canonical SMILES for 2-[(3-bromophenyl)carbamoylamino]-3-(1H-indol-2-yl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide is O=C(Nc1cccc(Br)c1)NC(Cc1cc2ccccc2[nH]1)C(=O)Nc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 2-[(3-bromophenyl)carbamoylamino]-3-(1H-indol-2-yl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide?
The InChIKey is JDFZDAOYXDBGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26BrN5O4/c29-19-5-3-6-21(15-19)32-28(37)33-25(16-22-14-18-4-1-2-7-24(18)30-22)27(36)31-20-8-10-23(11-9-20)34-12-13-38-17-26(34)35/h1-11,14-15,25,30H,12-13,16-17H2,(H,31,36)(H2,32,33,37).
What are the key properties of 2-[(3-bromophenyl)carbamoylamino]-3-(1H-indol-2-yl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide?
2-[(3-bromophenyl)carbamoylamino]-3-(1H-indol-2-yl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide has a molecular weight of 576.45 g/mol, XLogP of 4.67, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)carbamoylamino]-3-(1H-indol-2-yl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide is sourced from PubChem (CID 174777608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).