3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide

C20H22BrClN4O3 — CID 55770674

IUPAC3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide
SMILESO=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C20H22BrClN4O3/c21-14-1-4-16(5-2-14)24-20(28)23-8-7-19(27)25-17-13-15(22)3-6-18(17)26-9-11-29-12-10-26/h1-6,13H,7-12H2,(H,25,27)(H2,23,24,28)
InChIKeySQVLNQMZAFLGOJ-UHFFFAOYSA-N
MW481.78 g/mol
LogP4.09
Rot. Bonds6

About 3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide

3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide (PubChem CID 55770674) has the molecular formula C20H22BrClN4O3 and a molecular weight of 481.78 g/mol. Its IUPAC name is 3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide
PubChem CID55770674
Molecular FormulaC20H22BrClN4O3
Molecular Weight481.78 g/mol
Exact Mass480.06
IUPAC Name3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide
SMILESO=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C20H22BrClN4O3/c21-14-1-4-16(5-2-14)24-20(28)23-8-7-19(27)25-17-13-15(22)3-6-18(17)26-9-11-29-12-10-26/h1-6,13H,7-12H2,(H,25,27)(H2,23,24,28)
InChIKeySQVLNQMZAFLGOJ-UHFFFAOYSA-N
XLogP4.09
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.78
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
2-[2-(5-chloro-2-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 24981722
N-(4-bromo-2-methylphenyl)-2-(5-chloro-2-morpholin-4-ylanilino)acetamide
CID 26439639
1-benzyl-3-(5-chloro-2-morpholin-4-ylphenyl)urea
CID 51242905
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 8839205
N-(5-chloro-2-morpholin-4-ylphenyl)-4-phenylsulfanylbutanamide
CID 4963910
(3Z)-3-amino-N-(5-chloro-2-morpholin-4-ylphenyl)-3-hydroxyiminopropanamide
CID 16777669
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-chlorophenoxy)acetamide
CID 4665478
N-(5-bromo-2-morpholin-4-ylphenyl)-4-chlorobenzamide
CID 55363665
3-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122074139
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 43033796
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(phenylcarbamoylamino)acetamide
CID 17459535

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide (CID 55770674) is 3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide is O=C(CCNC(=O)Nc1ccc(Br)cc1)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of 3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide?
The InChIKey is SQVLNQMZAFLGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrClN4O3/c21-14-1-4-16(5-2-14)24-20(28)23-8-7-19(27)25-17-13-15(22)3-6-18(17)26-9-11-29-12-10-26/h1-6,13H,7-12H2,(H,25,27)(H2,23,24,28).
What are the key properties of 3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide?
3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide has a molecular weight of 481.78 g/mol, XLogP of 4.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)carbamoylamino]-N-(5-chloro-2-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 55770674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).