2-[(4-bromophenyl)carbamoylamino]-3-(4-hydroxyphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide

C26H25BrN4O5 — CID 174777612

IUPAC2-[(4-bromophenyl)carbamoylamino]-3-(4-hydroxyphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
SMILESO=C(Nc1ccc(Br)cc1)NC(Cc1ccc(O)cc1)C(=O)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C26H25BrN4O5/c27-18-3-5-20(6-4-18)29-26(35)30-23(15-17-1-11-22(32)12-2-17)25(34)28-19-7-9-21(10-8-19)31-13-14-36-16-24(31)33/h1-12,23,32H,13-16H2,(H,28,34)(H2,29,30,35)
InChIKeyNRYPZCDGMBUDAE-UHFFFAOYSA-N
MW553.41 g/mol
LogP3.89
Rot. Bonds7

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

2-[(4-bromophenyl)carbamoylamino]-3-(4-hydroxyphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide (PubChem CID 174777612) has the molecular formula C26H25BrN4O5 and a molecular weight of 553.41 g/mol. Its IUPAC name is 2-[(4-bromophenyl)carbamoylamino]-3-(4-hydroxyphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)carbamoylamino]-3-(4-hydroxyphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
PubChem CID174777612
Molecular FormulaC26H25BrN4O5
Molecular Weight553.41 g/mol
Exact Mass552.10
IUPAC Name2-[(4-bromophenyl)carbamoylamino]-3-(4-hydroxyphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
SMILESO=C(Nc1ccc(Br)cc1)NC(Cc1ccc(O)cc1)C(=O)Nc1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C26H25BrN4O5/c27-18-3-5-20(6-4-18)29-26(35)30-23(15-17-1-11-22(32)12-2-17)25(34)28-19-7-9-21(10-8-19)31-13-14-36-16-24(31)33/h1-12,23,32H,13-16H2,(H,28,34)(H2,29,30,35)
InChIKeyNRYPZCDGMBUDAE-UHFFFAOYSA-N
XLogP3.89
TPSA120.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.41
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[3-(4-hydroxyphenyl)-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 174777567
2-[(3-bromophenyl)carbamoylamino]-3-(1H-indol-2-yl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 174777608
4-(amino-methyl-oxo-λ6-sulfanylidene)-2-[(4-chlorophenyl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]butanamide
CID 90846289
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(3-oxomorpholin-4-yl)phenyl]-3-(3-tritylimidazol-4-yl)propanamide
CID 174777568
5-bromo-N-[4-methyl-1-oxo-1-[4-(3-oxomorpholin-4-yl)anilino]pentan-2-yl]thiophene-2-carboxamide
CID 68882975
2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide
CID 69060079
2-amino-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
CID 69444352
1-(3-chlorophenyl)-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110363575
1-[(3-chlorophenyl)methyl]-3-[4-(3-oxomorpholin-4-yl)phenyl]urea
CID 110617707
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282
3-(4-methylphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 110617653
4-[(5-chlorothiophene-2-carbonyl)amino]-5-oxo-5-[4-(3-oxomorpholin-4-yl)anilino]pentanoic acid
CID 68885043

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-3-(4-hydroxyphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide?
The IUPAC name of 2-[(4-bromophenyl)carbamoylamino]-3-(4-hydroxyphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide (CID 174777612) is 2-[(4-bromophenyl)carbamoylamino]-3-(4-hydroxyphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide.
What is the SMILES notation for 2-[(4-bromophenyl)carbamoylamino]-3-(4-hydroxyphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide?
The canonical SMILES for 2-[(4-bromophenyl)carbamoylamino]-3-(4-hydroxyphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide is O=C(Nc1ccc(Br)cc1)NC(Cc1ccc(O)cc1)C(=O)Nc1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of 2-[(4-bromophenyl)carbamoylamino]-3-(4-hydroxyphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide?
The InChIKey is NRYPZCDGMBUDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrN4O5/c27-18-3-5-20(6-4-18)29-26(35)30-23(15-17-1-11-22(32)12-2-17)25(34)28-19-7-9-21(10-8-19)31-13-14-36-16-24(31)33/h1-12,23,32H,13-16H2,(H,28,34)(H2,29,30,35).
What are the key properties of 2-[(4-bromophenyl)carbamoylamino]-3-(4-hydroxyphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide?
2-[(4-bromophenyl)carbamoylamino]-3-(4-hydroxyphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide has a molecular weight of 553.41 g/mol, XLogP of 3.89, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)carbamoylamino]-3-(4-hydroxyphenyl)-N-[4-(3-oxomorpholin-4-yl)phenyl]propanamide is sourced from PubChem (CID 174777612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).