N-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide

C16H14BrClN2O2 — CID 108955273

IUPACN-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)Nc2cccc(Br)c2)cc1Cl
InChIInChI=1S/C16H14BrClN2O2/c1-10-5-6-13(8-14(10)18)20-16(22)9-15(21)19-12-4-2-3-11(17)7-12/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeySXSUEPDKZQCCNV-UHFFFAOYSA-N
MW381.66 g/mol
LogP4.38
Rot. Bonds4

About N-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide

N-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide (PubChem CID 108955273) has the molecular formula C16H14BrClN2O2 and a molecular weight of 381.66 g/mol. Its IUPAC name is N-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide
PubChem CID108955273
Molecular FormulaC16H14BrClN2O2
Molecular Weight381.66 g/mol
Exact Mass379.99
IUPAC NameN-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)Nc2cccc(Br)c2)cc1Cl
InChIInChI=1S/C16H14BrClN2O2/c1-10-5-6-13(8-14(10)18)20-16(22)9-15(21)19-12-4-2-3-11(17)7-12/h2-8H,9H2,1H3,(H,19,21)(H,20,22)
InChIKeySXSUEPDKZQCCNV-UHFFFAOYSA-N
XLogP4.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.66
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 112998184
N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide
CID 108954873
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
N-(3-bromophenyl)-2-(2-chloro-4,6-dimethylanilino)acetamide
CID 109008766
N'-(3-chloro-4-methylphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955295
N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
N-(3-bromophenyl)-2-(2-methylphenyl)acetamide
CID 24705879
N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 28515380
N-(3-bromophenyl)-2-(3-methylbutylamino)acetamide
CID 28576518
N'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943931

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide?
The IUPAC name of N-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide (CID 108955273) is N-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide.
What is the SMILES notation for N-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide?
The canonical SMILES for N-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide is Cc1ccc(NC(=O)CC(=O)Nc2cccc(Br)c2)cc1Cl.
What is the InChIKey of N-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide?
The InChIKey is SXSUEPDKZQCCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O2/c1-10-5-6-13(8-14(10)18)20-16(22)9-15(21)19-12-4-2-3-11(17)7-12/h2-8H,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide?
N-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide has a molecular weight of 381.66 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide is sourced from PubChem (CID 108955273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).