N-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide

C21H21BrClN3O3 — CID 122480296

IUPACN-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(Cl)c(NC(=O)C2(N3CCOCC3)CC2)c1
InChIInChI=1S/C21H21BrClN3O3/c22-15-2-4-16(5-3-15)24-19(27)14-1-6-17(23)18(13-14)25-20(28)21(7-8-21)26-9-11-29-12-10-26/h1-6,13H,7-12H2,(H,24,27)(H,25,28)
InChIKeyCWJKCYBNSYIIEK-UHFFFAOYSA-N
MW478.77 g/mol
LogP4.16
Rot. Bonds5

About N-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide

N-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide (PubChem CID 122480296) has the molecular formula C21H21BrClN3O3 and a molecular weight of 478.77 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide
PubChem CID122480296
Molecular FormulaC21H21BrClN3O3
Molecular Weight478.77 g/mol
Exact Mass477.05
IUPAC NameN-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(Cl)c(NC(=O)C2(N3CCOCC3)CC2)c1
InChIInChI=1S/C21H21BrClN3O3/c22-15-2-4-16(5-3-15)24-19(27)14-1-6-17(23)18(13-14)25-20(28)21(7-8-21)26-9-11-29-12-10-26/h1-6,13H,7-12H2,(H,24,27)(H,25,28)
InChIKeyCWJKCYBNSYIIEK-UHFFFAOYSA-N
XLogP4.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.77
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide
CID 122480303
4-hydroxy-3-[(1-morpholin-4-ylcyclobutanecarbonyl)amino]-N-(4-phenylphenyl)benzamide
CID 144714180
3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-phenylmethoxy-N-(4-phenylphenyl)benzamide
CID 86298919
N-[4-(2-aminopyrimidin-5-yl)phenyl]-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzamide
CID 122499939
5-bromo-2-chloro-N-[4-(morpholine-4-carbonyl)phenyl]benzamide
CID 17172946
N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide
CID 21211970
3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]-4-(trifluoromethoxy)benzoic acid
CID 90460410
3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 1114261
N-(6-bromoisoquinolin-3-yl)-1-morpholin-4-ylcyclohexane-1-carboxamide
CID 175342472
4-bromo-N-(2,5-dichlorophenyl)benzamide
CID 763593
4-amino-N-(5-carbamoyl-2-chlorophenyl)oxane-4-carboxamide
CID 115293838
5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 3540597

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide (CID 122480296) is N-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide is O=C(Nc1ccc(Br)cc1)c1ccc(Cl)c(NC(=O)C2(N3CCOCC3)CC2)c1.
What is the InChIKey of N-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is CWJKCYBNSYIIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrClN3O3/c22-15-2-4-16(5-3-15)24-19(27)14-1-6-17(23)18(13-14)25-20(28)21(7-8-21)26-9-11-29-12-10-26/h1-6,13H,7-12H2,(H,24,27)(H,25,28).
What are the key properties of N-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide?
N-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 478.77 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-chloro-3-[(1-morpholin-4-ylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 122480296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).