N'-(3-bromo-5-chlorophenyl)-2-methoxypropanediamide

C10H10BrClN2O3 — CID 176670162

IUPACN'-(3-bromo-5-chlorophenyl)-2-methoxypropanediamide
SMILESCOC(C(N)=O)C(=O)Nc1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H10BrClN2O3/c1-17-8(9(13)15)10(16)14-7-3-5(11)2-6(12)4-7/h2-4,8H,1H3,(H2,13,15)(H,14,16)
InChIKeyWWRWYOAQKZJLQJ-UHFFFAOYSA-N
MW321.56 g/mol
LogP1.54
Rot. Bonds4

About N'-(3-bromo-5-chlorophenyl)-2-methoxypropanediamide

N'-(3-bromo-5-chlorophenyl)-2-methoxypropanediamide (PubChem CID 176670162) has the molecular formula C10H10BrClN2O3 and a molecular weight of 321.56 g/mol. Its IUPAC name is N'-(3-bromo-5-chlorophenyl)-2-methoxypropanediamide.

Molecular Properties

Compound NameN'-(3-bromo-5-chlorophenyl)-2-methoxypropanediamide
PubChem CID176670162
Molecular FormulaC10H10BrClN2O3
Molecular Weight321.56 g/mol
Exact Mass319.96
IUPAC NameN'-(3-bromo-5-chlorophenyl)-2-methoxypropanediamide
SMILESCOC(C(N)=O)C(=O)Nc1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H10BrClN2O3/c1-17-8(9(13)15)10(16)14-7-3-5(11)2-6(12)4-7/h2-4,8H,1H3,(H2,13,15)(H,14,16)
InChIKeyWWRWYOAQKZJLQJ-UHFFFAOYSA-N
XLogP1.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.56
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-5-chlorophenyl)thiourea
CID 131211224
1-(3-bromo-5-chlorophenyl)-3-(3,5-dichlorophenyl)urea
CID 172725439
tert-butyl N-[(2S)-5-amino-1-(3-bromo-5-chloroanilino)-1,5-dioxopentan-2-yl]carbamate
CID 155189410
1-(3-bromo-5-methoxyphenyl)-3-(3,5-dichlorophenyl)urea
CID 175722040
1-(3,5-dibromophenyl)-3-(3,5-dichlorophenyl)urea
CID 175721758
1-(3-bromo-5-chlorophenyl)-2-ethylguanidine
CID 130697862
N-(3,5-dichlorophenyl)-2-methylpropanamide
CID 797394
3-amino-N-(3-bromo-5-methoxyphenyl)-2-methoxypropanamide
CID 106113513
N-(3,5-dichlorophenyl)-2-methoxy-N'-[4-[methoxy(methyl)amino]-4-oxobutyl]propanediamide
CID 156838791
2-[(3-bromo-5-chlorophenyl)carbamoylamino]-4-fluorobenzamide
CID 166747489
(2S)-2-amino-N-(3-bromo-5-methoxyphenyl)-3-methylbutanamide
CID 82868308
(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
CID 42314535

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-5-chlorophenyl)-2-methoxypropanediamide?
The IUPAC name of N'-(3-bromo-5-chlorophenyl)-2-methoxypropanediamide (CID 176670162) is N'-(3-bromo-5-chlorophenyl)-2-methoxypropanediamide.
What is the SMILES notation for N'-(3-bromo-5-chlorophenyl)-2-methoxypropanediamide?
The canonical SMILES for N'-(3-bromo-5-chlorophenyl)-2-methoxypropanediamide is COC(C(N)=O)C(=O)Nc1cc(Cl)cc(Br)c1.
What is the InChIKey of N'-(3-bromo-5-chlorophenyl)-2-methoxypropanediamide?
The InChIKey is WWRWYOAQKZJLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClN2O3/c1-17-8(9(13)15)10(16)14-7-3-5(11)2-6(12)4-7/h2-4,8H,1H3,(H2,13,15)(H,14,16).
What are the key properties of N'-(3-bromo-5-chlorophenyl)-2-methoxypropanediamide?
N'-(3-bromo-5-chlorophenyl)-2-methoxypropanediamide has a molecular weight of 321.56 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-5-chlorophenyl)-2-methoxypropanediamide is sourced from PubChem (CID 176670162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).