2-(4-bromoanilino)-N-butylacetamide

C12H17BrN2O — CID 39385109

IUPAC2-(4-bromoanilino)-N-butylacetamide
SMILESCCCCNC(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-2-3-8-14-12(16)9-15-11-6-4-10(13)5-7-11/h4-7,15H,2-3,8-9H2,1H3,(H,14,16)
InChIKeyUFCNSYYEJQIIDN-UHFFFAOYSA-N
MW285.18 g/mol
LogP2.78
Rot. Bonds6

About 2-(4-bromoanilino)-N-butylacetamide

2-(4-bromoanilino)-N-butylacetamide (PubChem CID 39385109) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-butylacetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-butylacetamide
PubChem CID39385109
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name2-(4-bromoanilino)-N-butylacetamide
SMILESCCCCNC(=O)CNc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-2-3-8-14-12(16)9-15-11-6-4-10(13)5-7-11/h4-7,15H,2-3,8-9H2,1H3,(H,14,16)
InChIKeyUFCNSYYEJQIIDN-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(4-bromoanilino)acetyl]amino]-N-butylbenzamide
CID 54811246
2-(4-bromo-3-fluoroanilino)-N-butylacetamide
CID 65437727
2-(4-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990658
2-(4-acetamidoanilino)-N-heptylacetamide
CID 54808088
ethyl 4-[[2-(butylamino)-2-oxoethyl]amino]benzoate
CID 86908699
2-(4-bromo-3-methoxyanilino)-N-butylacetamide
CID 79493403
N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835584
3-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N-butylbenzamide
CID 54833854
N-ethyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
CID 54839527
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 60703977
N-butyl-2-(3,4-diethoxyanilino)acetamide
CID 60672654

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-butylacetamide?
The IUPAC name of 2-(4-bromoanilino)-N-butylacetamide (CID 39385109) is 2-(4-bromoanilino)-N-butylacetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-butylacetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-butylacetamide is CCCCNC(=O)CNc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromoanilino)-N-butylacetamide?
The InChIKey is UFCNSYYEJQIIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-2-3-8-14-12(16)9-15-11-6-4-10(13)5-7-11/h4-7,15H,2-3,8-9H2,1H3,(H,14,16).
What are the key properties of 2-(4-bromoanilino)-N-butylacetamide?
2-(4-bromoanilino)-N-butylacetamide has a molecular weight of 285.18 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-butylacetamide is sourced from PubChem (CID 39385109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).