N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide

C19H21BrN2O2 — CID 108954637

IUPACN-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide
SMILESCC(C)(C)c1ccccc1NC(=O)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-19(2,3)15-6-4-5-7-16(15)22-18(24)12-17(23)21-14-10-8-13(20)9-11-14/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyIAEFIDXPIXTVHN-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.71
Rot. Bonds4

About N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide

N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide (PubChem CID 108954637) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide
PubChem CID108954637
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide
SMILESCC(C)(C)c1ccccc1NC(=O)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O2/c1-19(2,3)15-6-4-5-7-16(15)22-18(24)12-17(23)21-14-10-8-13(20)9-11-14/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyIAEFIDXPIXTVHN-UHFFFAOYSA-N
XLogP4.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.71
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

N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide
CID 109037311
N'-(2-tert-butylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108954645
N-(3-acetamidophenyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108954654
N'-(2-tert-butylphenyl)-N-(3-chloro-4-fluorophenyl)propanediamide
CID 108954633
N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953863
N-(4-acetamidophenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108956034
2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7492494
3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037274
N-(2-tert-butylphenyl)-N'-(2,6-dichlorophenyl)propanediamide
CID 108954677
3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037286
N-(4-tert-butylphenyl)-N'-(2-methylphenyl)propanediamide
CID 108952923
N-(2-tert-butylphenyl)-2-methylsulfanylacetamide
CID 67575618

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide?
The IUPAC name of N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide (CID 108954637) is N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide?
The canonical SMILES for N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide is CC(C)(C)c1ccccc1NC(=O)CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide?
The InChIKey is IAEFIDXPIXTVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-19(2,3)15-6-4-5-7-16(15)22-18(24)12-17(23)21-14-10-8-13(20)9-11-14/h4-11H,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide?
N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide has a molecular weight of 389.29 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide is sourced from PubChem (CID 108954637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).