4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide

C17H19BrN2O — CID 63324005

IUPAC4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide
SMILESNC(CCC(=O)NCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c18-15-8-4-5-13(11-15)12-20-17(21)10-9-16(19)14-6-2-1-3-7-14/h1-8,11,16H,9-10,12,19H2,(H,20,21)
InChIKeyQSJJRGNCGWNRHO-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.55
Rot. Bonds6

About 4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide

4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide (PubChem CID 63324005) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide
PubChem CID63324005
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide
SMILESNC(CCC(=O)NCc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c18-15-8-4-5-13(11-15)12-20-17(21)10-9-16(19)14-6-2-1-3-7-14/h1-8,11,16H,9-10,12,19H2,(H,20,21)
InChIKeyQSJJRGNCGWNRHO-UHFFFAOYSA-N
XLogP3.55
TPSA55.12 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 ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(3-fluorophenyl)methyl]-4-phenylbutanamide
CID 63324328
N-(3-amino-3-phenylpropyl)-2-(3-bromophenyl)acetamide
CID 80506871
N-[(3-bromophenyl)methyl]-4-hydroxypentanamide
CID 79192945
4-amino-N-[(2-hydroxyphenyl)methyl]-4-phenylbutanamide
CID 114332251
4-amino-4-phenyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 55205488
N-(3-aminobutyl)-3-(3-bromophenyl)propanamide
CID 119497411
N-[(3-bromophenyl)methyl]-5-hydroxypentanamide
CID 79209822
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 103823770
4-amino-N-(2-amino-2-oxoethyl)-4-phenylbutanamide
CID 63324363
3-amino-N-[(3-bromophenyl)methyl]-2-phenyl-3-sulfanylidenepropanamide
CID 62877573
N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497
5-[(3-bromophenyl)methylamino]-5-oxopentanoate
CID 7330207

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide?
The IUPAC name of 4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide (CID 63324005) is 4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide is NC(CCC(=O)NCc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide?
The InChIKey is QSJJRGNCGWNRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c18-15-8-4-5-13(11-15)12-20-17(21)10-9-16(19)14-6-2-1-3-7-14/h1-8,11,16H,9-10,12,19H2,(H,20,21).
What are the key properties of 4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide?
4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide has a molecular weight of 347.26 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide is sourced from PubChem (CID 63324005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).