N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide

C19H23BrN2O — CID 109037311

IUPACN-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide
SMILESCC(C)(C)c1ccccc1NCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O/c1-19(2,3)16-6-4-5-7-17(16)21-13-12-18(23)22-15-10-8-14(20)9-11-15/h4-11,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyRRPSMHHIZFSRHP-UHFFFAOYSA-N
MW375.31 g/mol
LogP5.19
Rot. Bonds5

About N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide

N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide (PubChem CID 109037311) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide
PubChem CID109037311
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC NameN-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide
SMILESCC(C)(C)c1ccccc1NCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O/c1-19(2,3)16-6-4-5-7-17(16)21-13-12-18(23)22-15-10-8-14(20)9-11-15/h4-11,21H,12-13H2,1-3H3,(H,22,23)
InChIKeyRRPSMHHIZFSRHP-UHFFFAOYSA-N
XLogP5.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.31
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108954637
3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide
CID 109037353
3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide
CID 109037316
3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037274
3-(3-bromoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037286
3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
CID 109037305
3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037309
N-(2-tert-butylphenyl)-3-(3,5-dimethylanilino)propanamide
CID 109035689
N-(3-bromophenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109040694
3-(4-bromoanilino)-N-(2-methoxyphenyl)propanamide
CID 109039232
methyl 2-[[3-(2-tert-butylanilino)-3-oxopropyl]amino]benzoate
CID 109037275
N-(2-tert-butylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109037267

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide?
The IUPAC name of N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide (CID 109037311) is N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide is CC(C)(C)c1ccccc1NCCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide?
The InChIKey is RRPSMHHIZFSRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-19(2,3)16-6-4-5-7-17(16)21-13-12-18(23)22-15-10-8-14(20)9-11-15/h4-11,21H,12-13H2,1-3H3,(H,22,23).
What are the key properties of N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide?
N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide has a molecular weight of 375.31 g/mol, XLogP of 5.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide is sourced from PubChem (CID 109037311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).