4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide

C19H21BrN2O3 — CID 17195175

IUPAC4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H21BrN2O3/c1-2-3-12-21-19(24)14-4-8-16(9-5-14)22-18(23)13-25-17-10-6-15(20)7-11-17/h4-11H,2-3,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyCBHBRLGZLUCZEK-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.00
Rot. Bonds8

About 4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide

4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide (PubChem CID 17195175) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide
PubChem CID17195175
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1
InChIInChI=1S/C19H21BrN2O3/c1-2-3-12-21-19(24)14-4-8-16(9-5-14)22-18(23)13-25-17-10-6-15(20)7-11-17/h4-11H,2-3,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyCBHBRLGZLUCZEK-UHFFFAOYSA-N
XLogP4.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218749
4-N-(4-bromophenyl)-1-N-butylbenzene-1,4-dicarboxamide
CID 109043765
4-[[2-(4-bromoanilino)acetyl]amino]-N-butylbenzamide
CID 54811246
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 17205057
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1361282
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313
4-[[2-(2,4-dibromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218745
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
4-bromo-N-pentylbenzamide
CID 4167913
N-butyl-3-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17196943

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide?
The IUPAC name of 4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide (CID 17195175) is 4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide.
What is the SMILES notation for 4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide?
The canonical SMILES for 4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide is CCCCNC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide?
The InChIKey is CBHBRLGZLUCZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-2-3-12-21-19(24)14-4-8-16(9-5-14)22-18(23)13-25-17-10-6-15(20)7-11-17/h4-11H,2-3,12-13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide?
4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide has a molecular weight of 405.29 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromophenoxy)acetyl]amino]-N-butylbenzamide is sourced from PubChem (CID 17195175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).