2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide

C17H19BrN2O — CID 54811171

IUPAC2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CNc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-2-16(13-6-4-3-5-7-13)20-17(21)12-19-15-10-8-14(18)9-11-15/h3-11,16,19H,2,12H2,1H3,(H,20,21)
InChIKeySTXWSJAKGXNZMP-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.13
Rot. Bonds6

About 2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide

2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide (PubChem CID 54811171) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide
PubChem CID54811171
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CNc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-2-16(13-6-4-3-5-7-13)20-17(21)12-19-15-10-8-14(18)9-11-15/h3-11,16,19H,2,12H2,1H3,(H,20,21)
InChIKeySTXWSJAKGXNZMP-UHFFFAOYSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3-(1-phenylpropyl)urea
CID 3395265
2-(naphthalen-2-ylamino)-N-(1-phenylpropyl)acetamide
CID 54839833
2-[4-(2-methoxyethoxy)anilino]-N-(1-phenylpropyl)acetamide
CID 54822434
2-[4-(2-phenylethoxy)anilino]-N-(1-phenylpropyl)acetamide
CID 54823876
2-(3-chloroanilino)-N-(1-phenylpropyl)acetamide
CID 54809039
N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide
CID 112723289
2-(4-bromoanilino)-N-propan-2-ylacetamide
CID 17401945
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
2,2-dimethyl-N-[3-[[2-oxo-2-(1-phenylpropylamino)ethyl]amino]phenyl]propanamide
CID 54835424
N-[(1S)-1-phenylpropyl]-2-phenylsulfanylacetamide
CID 94013315
(2S)-2-[1-(4-bromophenyl)propylamino]-2-phenylethanol
CID 103784133

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide (CID 54811171) is 2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide is CCC(NC(=O)CNc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide?
The InChIKey is STXWSJAKGXNZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-2-16(13-6-4-3-5-7-13)20-17(21)12-19-15-10-8-14(18)9-11-15/h3-11,16,19H,2,12H2,1H3,(H,20,21).
What are the key properties of 2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide?
2-(4-bromoanilino)-N-(1-phenylpropyl)acetamide has a molecular weight of 347.26 g/mol, XLogP of 4.13, 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-(1-phenylpropyl)acetamide is sourced from PubChem (CID 54811171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).